(3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one

C125H165N23O7 — CID 159280370

IUPAC(3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one
SMILESCCC(O)(CC)c1ccc(N2CCC(Cc3ccccc3N3CCNCC3)C2=O)cn1.O=C1C(Cc2ccccc2N2CCNCC2)CCN1c1ccc(N2CCCCC2)nc1.O=C1[C@@H](Cc2ccccc2N2CCNCC2)CCN1c1ccc(C2(O)CCCC2)nc1.O=C1[C@@H](Cc2ccccc2N2CCNCC2)CCN1c1ccc(N2CCCCC2)nc1.O=C1[C@H](Cc2ccccc2N2CCNCC2)CCN1c1ccc(N2CCCCC2)nc1
InChIInChI=1S/3C25H33N5O.C25H32N4O2.C25H34N4O2/c3*31-25-21(18-20-6-2-3-7-23(20)28-16-11-26-12-17-28)10-15-30(25)22-8-9-24(27-19-22)29-13-4-1-5-14-29;30-24-20(17-19-5-1-2-6-22(19)28-15-12-26-13-16-28)9-14-29(24)21-7-8-23(27-18-21)25(31)10-3-4-11-25;1-3-25(31,4-2)23-10-9-21(18-27-23)29-14-11-20(24(29)30)17-19-7-5-6-8-22(19)28-15-12-26-13-16-28/h3*2-3,6-9,19,21,26H,1,4-5,10-18H2;1-2,5-8,18,20,26,31H,3-4,9-17H2;5-10,18,20,26,31H,3-4,11-17H2,1-2H3/t2*21-;;20-;/m10.1./s1
InChIKeyKYVKTZAIDUJYGP-VBFAYZLISA-N
MW2101.85 g/mol
LogP15.17
Rot. Bonds27

About (3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one

(3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one (PubChem CID 159280370) has the molecular formula C125H165N23O7 and a molecular weight of 2101.85 g/mol. Its IUPAC name is (3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one
PubChem CID159280370
Molecular FormulaC125H165N23O7
Molecular Weight2101.85 g/mol
Exact Mass2100.33
IUPAC Name(3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one
SMILESCCC(O)(CC)c1ccc(N2CCC(Cc3ccccc3N3CCNCC3)C2=O)cn1.O=C1C(Cc2ccccc2N2CCNCC2)CCN1c1ccc(N2CCCCC2)nc1.O=C1[C@@H](Cc2ccccc2N2CCNCC2)CCN1c1ccc(C2(O)CCCC2)nc1.O=C1[C@@H](Cc2ccccc2N2CCNCC2)CCN1c1ccc(N2CCCCC2)nc1.O=C1[C@H](Cc2ccccc2N2CCNCC2)CCN1c1ccc(N2CCCCC2)nc1
InChIInChI=1S/3C25H33N5O.C25H32N4O2.C25H34N4O2/c3*31-25-21(18-20-6-2-3-7-23(20)28-16-11-26-12-17-28)10-15-30(25)22-8-9-24(27-19-22)29-13-4-1-5-14-29;30-24-20(17-19-5-1-2-6-22(19)28-15-12-26-13-16-28)9-14-29(24)21-7-8-23(27-18-21)25(31)10-3-4-11-25;1-3-25(31,4-2)23-10-9-21(18-27-23)29-14-11-20(24(29)30)17-19-7-5-6-8-22(19)28-15-12-26-13-16-28/h3*2-3,6-9,19,21,26H,1,4-5,10-18H2;1-2,5-8,18,20,26,31H,3-4,9-17H2;5-10,18,20,26,31H,3-4,11-17H2,1-2H3/t2*21-;;20-;/m10.1./s1
InChIKeyKYVKTZAIDUJYGP-VBFAYZLISA-N
XLogP15.17
TPSA292.53 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002101.85
LogP ≤ 515.17
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Analyze (3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one?
The IUPAC name of (3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one (CID 159280370) is (3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one is CCC(O)(CC)c1ccc(N2CCC(Cc3ccccc3N3CCNCC3)C2=O)cn1.O=C1C(Cc2ccccc2N2CCNCC2)CCN1c1ccc(N2CCCCC2)nc1.O=C1[C@@H](Cc2ccccc2N2CCNCC2)CCN1c1ccc(C2(O)CCCC2)nc1.O=C1[C@@H](Cc2ccccc2N2CCNCC2)CCN1c1ccc(N2CCCCC2)nc1.O=C1[C@H](Cc2ccccc2N2CCNCC2)CCN1c1ccc(N2CCCCC2)nc1.
What is the InChIKey of (3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one?
The InChIKey is KYVKTZAIDUJYGP-VBFAYZLISA-N. The full InChI is InChI=1S/3C25H33N5O.C25H32N4O2.C25H34N4O2/c3*31-25-21(18-20-6-2-3-7-23(20)28-16-11-26-12-17-28)10-15-30(25)22-8-9-24(27-19-22)29-13-4-1-5-14-29;30-24-20(17-19-5-1-2-6-22(19)28-15-12-26-13-16-28)9-14-29(24)21-7-8-23(27-18-21)25(31)10-3-4-11-25;1-3-25(31,4-2)23-10-9-21(18-27-23)29-14-11-20(24(29)30)17-19-7-5-6-8-22(19)28-15-12-26-13-16-28/h3*2-3,6-9,19,21,26H,1,4-5,10-18H2;1-2,5-8,18,20,26,31H,3-4,9-17H2;5-10,18,20,26,31H,3-4,11-17H2,1-2H3/t2*21-;;20-;/m10.1./s1.
What are the key properties of (3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one?
(3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one has a molecular weight of 2101.85 g/mol, XLogP of 15.17, 27 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-(1-hydroxycyclopentyl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;1-[6-(3-hydroxypentan-3-yl)-3-pyridinyl]-3-[(2-piperazin-1-ylphenyl)methyl]pyrrolidin-2-one;3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3R)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one;(3S)-3-[(2-piperazin-1-ylphenyl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 159280370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).