4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide

C22H26N4O3 — CID 7490013

IUPAC4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-29-20-9-7-18(8-10-20)24-11-13-25(14-12-24)22(28)23-17-15-21(27)26(16-17)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,23,28)/t17-/m0/s1
InChIKeySGHJBTLRHNUMSW-KRWDZBQOSA-N
MW394.47 g/mol
LogP2.33
Rot. Bonds4

About 4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide

4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide (PubChem CID 7490013) has the molecular formula C22H26N4O3 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
PubChem CID7490013
Molecular FormulaC22H26N4O3
Molecular Weight394.47 g/mol
Exact Mass394.20
IUPAC Name4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C22H26N4O3/c1-29-20-9-7-18(8-10-20)24-11-13-25(14-12-24)22(28)23-17-15-21(27)26(16-17)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,23,28)/t17-/m0/s1
InChIKeySGHJBTLRHNUMSW-KRWDZBQOSA-N
XLogP2.33
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7163162
4-(4-acetylphenyl)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 41106577
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylpiperazine-1-carboxamide
CID 43969541
(3R,5R)-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 7244149
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 41106579
methyl 1-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 43969844
1-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 16801428
N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 41106594
(3R)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylpiperidine-1-carboxamide
CID 7544881
4-acetyl-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7215239
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 16812474
4-(2-fluorophenyl)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7162495

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide (CID 7490013) is 4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)N[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide?
The InChIKey is SGHJBTLRHNUMSW-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-29-20-9-7-18(8-10-20)24-11-13-25(14-12-24)22(28)23-17-15-21(27)26(16-17)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,23,28)/t17-/m0/s1.
What are the key properties of 4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide?
4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 7490013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).