4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde

C116H118Cl3N15O12S4 — CID 159080371

IUPAC4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCCNC(=O)N1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(CC3CC3)C2c2c[nH]c3cc(Cl)ccc23)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3ccccc3)C2c2ccc(Cl)cc2)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3cccnc3)C2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H34ClN5O3S.C29H28ClN3O3S.C29H29N3O3S.C28H27ClN4O3S/c1-2-32-29(39)35-14-12-34(13-15-35)28(38)30(40-22-6-4-3-5-7-22)17-26(37)36(19-20-8-9-20)27(30)24-18-33-25-16-21(31)10-11-23(24)25;30-24-13-11-23(12-14-24)27-29(37-25-9-5-2-6-10-25,28(36)32-17-15-31(21-34)16-18-32)19-26(35)33(27)20-22-7-3-1-4-8-22;33-22-30-16-18-31(19-17-30)28(35)29(36-25-14-8-3-9-15-25)20-26(34)32(21-23-10-4-1-5-11-23)27(29)24-12-6-2-7-13-24;29-23-10-8-22(9-11-23)26-28(37-24-6-2-1-3-7-24,27(36)32-15-13-31(20-34)14-16-32)17-25(35)33(26)19-21-5-4-12-30-18-21/h3-7,10-11,16,18,20,27,33H,2,8-9,12-15,17,19H2,1H3,(H,32,39);1-14,21,27H,15-20H2;1-15,22,27H,16-21H2;1-12,18,20,26H,13-17,19H2
InChIKeyKATYAVIGGZYDEE-UHFFFAOYSA-N
MW2148.94 g/mol
LogP17.59
Rot. Bonds28

About 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde

4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde (PubChem CID 159080371) has the molecular formula C116H118Cl3N15O12S4 and a molecular weight of 2148.94 g/mol. Its IUPAC name is 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
PubChem CID159080371
Molecular FormulaC116H118Cl3N15O12S4
Molecular Weight2148.94 g/mol
Exact Mass2145.70
IUPAC Name4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCCNC(=O)N1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(CC3CC3)C2c2c[nH]c3cc(Cl)ccc23)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3ccccc3)C2c2ccc(Cl)cc2)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3cccnc3)C2c2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H34ClN5O3S.C29H28ClN3O3S.C29H29N3O3S.C28H27ClN4O3S/c1-2-32-29(39)35-14-12-34(13-15-35)28(38)30(40-22-6-4-3-5-7-22)17-26(37)36(19-20-8-9-20)27(30)24-18-33-25-16-21(31)10-11-23(24)25;30-24-13-11-23(12-14-24)27-29(37-25-9-5-2-6-10-25,28(36)32-17-15-31(21-34)16-18-32)19-26(35)33(27)20-22-7-3-1-4-8-22;33-22-30-16-18-31(19-17-30)28(35)29(36-25-14-8-3-9-15-25)20-26(34)32(21-23-10-4-1-5-11-23)27(29)24-12-6-2-7-13-24;29-23-10-8-22(9-11-23)26-28(37-24-6-2-1-3-7-24,27(36)32-15-13-31(20-34)14-16-32)17-25(35)33(26)19-21-5-4-12-30-18-21/h3-7,10-11,16,18,20,27,33H,2,8-9,12-15,17,19H2,1H3,(H,32,39);1-14,21,27H,15-20H2;1-15,22,27H,16-21H2;1-12,18,20,26H,13-17,19H2
InChIKeyKATYAVIGGZYDEE-UHFFFAOYSA-N
XLogP17.59
TPSA284.43 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002148.94
LogP ≤ 517.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde with MolForge

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Related Compounds

4-[(2R,3R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 59249694
4-[(2S,3S)-1-[(4-chloro-3-fluorophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 59249714
4-[(2R,3S)-1-[(4-chloro-3-fluorophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 59249731
4-[(2S,3R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 59249769
4-[1-[(4-chloro-3-fluorophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 59249895
4-[(2S)-1-[(4-chloro-3-fluorophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 143955823
4-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 143955837
4-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-(6-chloro-1H-indol-3-yl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 143955898
CID 161238302
CID 161238302
N-(3-aminopropyl)-4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxamide
CID 59249692
4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxamide
CID 59249705
4-[(2S,3S)-2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide
CID 59249749

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde (CID 159080371) is 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde is CCNC(=O)N1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(CC3CC3)C2c2c[nH]c3cc(Cl)ccc23)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3ccccc3)C2c2ccc(Cl)cc2)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3ccccc3)C2c2ccccc2)CC1.O=CN1CCN(C(=O)C2(Sc3ccccc3)CC(=O)N(Cc3cccnc3)C2c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is KATYAVIGGZYDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN5O3S.C29H28ClN3O3S.C29H29N3O3S.C28H27ClN4O3S/c1-2-32-29(39)35-14-12-34(13-15-35)28(38)30(40-22-6-4-3-5-7-22)17-26(37)36(19-20-8-9-20)27(30)24-18-33-25-16-21(31)10-11-23(24)25;30-24-13-11-23(12-14-24)27-29(37-25-9-5-2-6-10-25,28(36)32-17-15-31(21-34)16-18-32)19-26(35)33(27)20-22-7-3-1-4-8-22;33-22-30-16-18-31(19-17-30)28(35)29(36-25-14-8-3-9-15-25)20-26(34)32(21-23-10-4-1-5-11-23)27(29)24-12-6-2-7-13-24;29-23-10-8-22(9-11-23)26-28(37-24-6-2-1-3-7-24,27(36)32-15-13-31(20-34)14-16-32)17-25(35)33(26)19-21-5-4-12-30-18-21/h3-7,10-11,16,18,20,27,33H,2,8-9,12-15,17,19H2,1H3,(H,32,39);1-14,21,27H,15-20H2;1-15,22,27H,16-21H2;1-12,18,20,26H,13-17,19H2.
What are the key properties of 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde?
4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 2148.94 g/mol, XLogP of 17.59, 28 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-2-(4-chlorophenyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]piperazine-1-carbaldehyde;4-(1-benzyl-5-oxo-2-phenyl-3-phenylsulfanylpyrrolidine-3-carbonyl)piperazine-1-carbaldehyde;4-[2-(6-chloro-1H-indol-3-yl)-1-(cyclopropylmethyl)-5-oxo-3-phenylsulfanylpyrrolidine-3-carbonyl]-N-ethylpiperazine-1-carboxamide;4-[2-(4-chlorophenyl)-5-oxo-3-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 159080371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).