4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one

C21H29N3O2 — CID 113189848

IUPAC4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1)N1CCCCC1
InChIInChI=1S/C21H29N3O2/c25-20-15-17(21(26)23-13-5-2-6-14-23)16-24(20)19-9-7-18(8-10-19)22-11-3-1-4-12-22/h7-10,17H,1-6,11-16H2
InChIKeyXSHBZKMDNPBMQW-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.04
Rot. Bonds3

About 4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one

4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one (PubChem CID 113189848) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
PubChem CID113189848
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1)N1CCCCC1
InChIInChI=1S/C21H29N3O2/c25-20-15-17(21(26)23-13-5-2-6-14-23)16-24(20)19-9-7-18(8-10-19)22-11-3-1-4-12-22/h7-10,17H,1-6,11-16H2
InChIKeyXSHBZKMDNPBMQW-UHFFFAOYSA-N
XLogP3.04
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
4-(4-methylpiperidine-1-carbonyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidin-2-one
CID 113189924
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6494501
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082146
(4S)-1-(4-methylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9254747
(3S)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136562
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108741423
(4R)-1-(4-bromophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 40979269
4-(azepane-1-carbonyl)-1-(3-bromo-4-methylphenyl)pyrrolidin-2-one
CID 113188098
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353

Frequently Asked Questions

What is the IUPAC name of 4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one (CID 113189848) is 4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1)N1CCCCC1.
What is the InChIKey of 4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one?
The InChIKey is XSHBZKMDNPBMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20-15-17(21(26)23-13-5-2-6-14-23)16-24(20)19-9-7-18(8-10-19)22-11-3-1-4-12-22/h7-10,17H,1-6,11-16H2.
What are the key properties of 4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one?
4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one has a molecular weight of 355.48 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 113189848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).