1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one

C32H37N5O3 — CID 45167389

IUPAC1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(c1cccc(N2CCCC2=O)c1)N1CCC(Oc2cccc(CN3CCN(c4ccccn4)CC3)c2)CC1
InChIInChI=1S/C32H37N5O3/c38-31-11-5-15-37(31)27-8-4-7-26(23-27)32(39)36-16-12-28(13-17-36)40-29-9-3-6-25(22-29)24-34-18-20-35(21-19-34)30-10-1-2-14-33-30/h1-4,6-10,14,22-23,28H,5,11-13,15-21,24H2
InChIKeyRNBJPJWOLOQMRP-UHFFFAOYSA-N
MW539.68 g/mol
LogP4.21
Rot. Bonds7

About 1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 45167389) has the molecular formula C32H37N5O3 and a molecular weight of 539.68 g/mol. Its IUPAC name is 1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID45167389
Molecular FormulaC32H37N5O3
Molecular Weight539.68 g/mol
Exact Mass539.29
IUPAC Name1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(c1cccc(N2CCCC2=O)c1)N1CCC(Oc2cccc(CN3CCN(c4ccccn4)CC3)c2)CC1
InChIInChI=1S/C32H37N5O3/c38-31-11-5-15-37(31)27-8-4-7-26(23-27)32(39)36-16-12-28(13-17-36)40-29-9-3-6-25(22-29)24-34-18-20-35(21-19-34)30-10-1-2-14-33-30/h1-4,6-10,14,22-23,28H,5,11-13,15-21,24H2
InChIKeyRNBJPJWOLOQMRP-UHFFFAOYSA-N
XLogP4.21
TPSA69.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.68
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

4-iodo-N-(2-(4-(methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 4658
Mppf F-18
CID 449646
4-Fluoro-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 6603915
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
3-[3-oxo-7-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 67334013
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
5-[(4-Fluoranyl-3-Phenoxy-Phenyl)methylamino]-~{n}-Methyl-6-[(1-Pyridin-2-Ylpiperidin-4-Yl)amino]pyridine-3-Carboxamide
CID 122391194
3-[7-[[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156014087
(4-Ethoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 891507
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-N-pyridin-2-yl-benzamide
CID 9823206
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4-methyl-N-pyridin-2-yl-benzamide
CID 10025720
(3-((3-Methoxyphenyl)ethynyl)phenyl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
CID 53318755

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 45167389) is 1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one is O=C(c1cccc(N2CCCC2=O)c1)N1CCC(Oc2cccc(CN3CCN(c4ccccn4)CC3)c2)CC1.
What is the InChIKey of 1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is RNBJPJWOLOQMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O3/c38-31-11-5-15-37(31)27-8-4-7-26(23-27)32(39)36-16-12-28(13-17-36)40-29-9-3-6-25(22-29)24-34-18-20-35(21-19-34)30-10-1-2-14-33-30/h1-4,6-10,14,22-23,28H,5,11-13,15-21,24H2.
What are the key properties of 1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 539.68 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 45167389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).