4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one

C129H155ClN20O18S — CID 160909528

IUPAC4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one
SMILESCC(C)N1CCC(Oc2ccc(N3CCN(C(=O)c4cccc5ncccc45)CC3=O)cc2)CC1.COc1cccc(Cl)c1C(=O)N1CCN(c2ccc(OC3CCN(C(C)C)CC3)cc2)C(=O)C1.CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(OC4CCN(C5CCCC5)CC4)cc3)C(=O)C2)c1.O=C(c1ccncc1)N1CCN(c2ccc(OCCCN3CCCC3)cc2)C(=O)C1.O=C(c1cnn2cccnc12)N1CCN(c2ccc(OCCCN3CCCC3)cc2)C(=O)C1
InChIInChI=1S/C28H32N4O3.C28H35N3O5S.C26H32ClN3O4.C24H28N6O3.C23H28N4O3/c1-20(2)30-15-12-23(13-16-30)35-22-10-8-21(9-11-22)32-18-17-31(19-27(32)33)28(34)25-5-3-7-26-24(25)6-4-14-29-26;1-37(34,35)26-8-4-5-21(19-26)28(33)30-17-18-31(27(32)20-30)23-9-11-24(12-10-23)36-25-13-15-29(16-14-25)22-6-2-3-7-22;1-18(2)28-13-11-21(12-14-28)34-20-9-7-19(8-10-20)30-16-15-29(17-24(30)31)26(32)25-22(27)5-4-6-23(25)33-3;31-22-18-28(24(32)21-17-26-30-13-3-9-25-23(21)30)14-15-29(22)19-5-7-20(8-6-19)33-16-4-12-27-10-1-2-11-27;28-22-18-26(23(29)19-8-10-24-11-9-19)15-16-27(22)20-4-6-21(7-5-20)30-17-3-14-25-12-1-2-13-25/h3-11,14,20,23H,12-13,15-19H2,1-2H3;4-5,8-12,19,22,25H,2-3,6-7,13-18,20H2,1H3;4-10,18,21H,11-17H2,1-3H3;3,5-9,13,17H,1-2,4,10-12,14-16,18H2;4-11H,1-3,12-18H2
InChIKeySQOYSMJXSYHAHV-UHFFFAOYSA-N
MW2341.30 g/mol
LogP15.95
Rot. Bonds31

About 4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one

4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one (PubChem CID 160909528) has the molecular formula C129H155ClN20O18S and a molecular weight of 2341.30 g/mol. Its IUPAC name is 4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one
PubChem CID160909528
Molecular FormulaC129H155ClN20O18S
Molecular Weight2341.30 g/mol
Exact Mass2339.12
IUPAC Name4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one
SMILESCC(C)N1CCC(Oc2ccc(N3CCN(C(=O)c4cccc5ncccc45)CC3=O)cc2)CC1.COc1cccc(Cl)c1C(=O)N1CCN(c2ccc(OC3CCN(C(C)C)CC3)cc2)C(=O)C1.CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(OC4CCN(C5CCCC5)CC4)cc3)C(=O)C2)c1.O=C(c1ccncc1)N1CCN(c2ccc(OCCCN3CCCC3)cc2)C(=O)C1.O=C(c1cnn2cccnc12)N1CCN(c2ccc(OCCCN3CCCC3)cc2)C(=O)C1
InChIInChI=1S/C28H32N4O3.C28H35N3O5S.C26H32ClN3O4.C24H28N6O3.C23H28N4O3/c1-20(2)30-15-12-23(13-16-30)35-22-10-8-21(9-11-22)32-18-17-31(19-27(32)33)28(34)25-5-3-7-26-24(25)6-4-14-29-26;1-37(34,35)26-8-4-5-21(19-26)28(33)30-17-18-31(27(32)20-30)23-9-11-24(12-10-23)36-25-13-15-29(16-14-25)22-6-2-3-7-22;1-18(2)28-13-11-21(12-14-28)34-20-9-7-19(8-10-20)30-16-15-29(17-24(30)31)26(32)25-22(27)5-4-6-23(25)33-3;31-22-18-28(24(32)21-17-26-30-13-3-9-25-23(21)30)14-15-29(22)19-5-7-20(8-6-19)33-16-4-12-27-10-1-2-11-27;28-22-18-26(23(29)19-8-10-24-11-9-19)15-16-27(22)20-4-6-21(7-5-20)30-17-3-14-25-12-1-2-13-25/h3-11,14,20,23H,12-13,15-19H2,1-2H3;4-5,8-12,19,22,25H,2-3,6-7,13-18,20H2,1H3;4-10,18,21H,11-17H2,1-3H3;3,5-9,13,17H,1-2,4,10-12,14-16,18H2;4-11H,1-3,12-18H2
InChIKeySQOYSMJXSYHAHV-UHFFFAOYSA-N
XLogP15.95
TPSA364.79 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds31
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002341.30
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one with MolForge

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Related Compounds

CID 158281102
CID 158281102
CID 159377929
CID 159377929
CID 161450321
CID 161450321
CID 161811023
CID 161811023

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one?
The IUPAC name of 4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one (CID 160909528) is 4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one.
What is the SMILES notation for 4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one?
The canonical SMILES for 4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one is CC(C)N1CCC(Oc2ccc(N3CCN(C(=O)c4cccc5ncccc45)CC3=O)cc2)CC1.COc1cccc(Cl)c1C(=O)N1CCN(c2ccc(OC3CCN(C(C)C)CC3)cc2)C(=O)C1.CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(OC4CCN(C5CCCC5)CC4)cc3)C(=O)C2)c1.O=C(c1ccncc1)N1CCN(c2ccc(OCCCN3CCCC3)cc2)C(=O)C1.O=C(c1cnn2cccnc12)N1CCN(c2ccc(OCCCN3CCCC3)cc2)C(=O)C1.
What is the InChIKey of 4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one?
The InChIKey is SQOYSMJXSYHAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3.C28H35N3O5S.C26H32ClN3O4.C24H28N6O3.C23H28N4O3/c1-20(2)30-15-12-23(13-16-30)35-22-10-8-21(9-11-22)32-18-17-31(19-27(32)33)28(34)25-5-3-7-26-24(25)6-4-14-29-26;1-37(34,35)26-8-4-5-21(19-26)28(33)30-17-18-31(27(32)20-30)23-9-11-24(12-10-23)36-25-13-15-29(16-14-25)22-6-2-3-7-22;1-18(2)28-13-11-21(12-14-28)34-20-9-7-19(8-10-20)30-16-15-29(17-24(30)31)26(32)25-22(27)5-4-6-23(25)33-3;31-22-18-28(24(32)21-17-26-30-13-3-9-25-23(21)30)14-15-29(22)19-5-7-20(8-6-19)33-16-4-12-27-10-1-2-11-27;28-22-18-26(23(29)19-8-10-24-11-9-19)15-16-27(22)20-4-6-21(7-5-20)30-17-3-14-25-12-1-2-13-25/h3-11,14,20,23H,12-13,15-19H2,1-2H3;4-5,8-12,19,22,25H,2-3,6-7,13-18,20H2,1H3;4-10,18,21H,11-17H2,1-3H3;3,5-9,13,17H,1-2,4,10-12,14-16,18H2;4-11H,1-3,12-18H2.
What are the key properties of 4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one?
4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one has a molecular weight of 2341.30 g/mol, XLogP of 15.95, 31 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methoxybenzoyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one;1-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-4-(3-methylsulfonylbenzoyl)piperazin-2-one;1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4-(quinoline-5-carbonyl)piperazin-2-one;4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one;4-(pyridine-4-carbonyl)-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperazin-2-one is sourced from PubChem (CID 160909528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).