1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one

C22H25N3O2 — CID 91790354

IUPAC1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESO=C(c1ccc(CC2CC(=O)N(c3ccccc3)C2)nc1)N1CCCCC1
InChIInChI=1S/C22H25N3O2/c26-21-14-17(16-25(21)20-7-3-1-4-8-20)13-19-10-9-18(15-23-19)22(27)24-11-5-2-6-12-24/h1,3-4,7-10,15,17H,2,5-6,11-14,16H2
InChIKeySYSOARJKPOMIGT-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.30
Rot. Bonds4

About 1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one

1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 91790354) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID91790354
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESO=C(c1ccc(CC2CC(=O)N(c3ccccc3)C2)nc1)N1CCCCC1
InChIInChI=1S/C22H25N3O2/c26-21-14-17(16-25(21)20-7-3-1-4-8-20)13-19-10-9-18(15-23-19)22(27)24-11-5-2-6-12-24/h1,3-4,7-10,15,17H,2,5-6,11-14,16H2
InChIKeySYSOARJKPOMIGT-UHFFFAOYSA-N
XLogP3.30
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 124851229
1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91784595
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
N-cyclopropyl-2-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 91829119
[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192015
[6-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192014
4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one
CID 91775988
4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110633189
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
(4S)-4-[(5-acetyl-2-morpholin-4-ylphenyl)methyl]-1-phenylpyrrolidin-2-one
CID 124755909
4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 155976717

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one (CID 91790354) is 1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one is O=C(c1ccc(CC2CC(=O)N(c3ccccc3)C2)nc1)N1CCCCC1.
What is the InChIKey of 1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is SYSOARJKPOMIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21-14-17(16-25(21)20-7-3-1-4-8-20)13-19-10-9-18(15-23-19)22(27)24-11-5-2-6-12-24/h1,3-4,7-10,15,17H,2,5-6,11-14,16H2.
What are the key properties of 1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one?
1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 91790354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).