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

C21H30N4O2 — CID 95208559

IUPAC(5S)-5-[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(C2(CN3CCCC3)CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)nc1
InChIInChI=1S/C21H30N4O2/c1-16-4-6-18(22-14-16)21(15-24-10-2-3-11-24)8-12-25(13-9-21)20(27)17-5-7-19(26)23-17/h4,6,14,17H,2-3,5,7-13,15H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyMCEANQBVWORJBO-KRWDZBQOSA-N
MW370.50 g/mol
LogP1.62
Rot. Bonds4

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

(5S)-5-[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95208559) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is (5S)-5-[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95208559
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name(5S)-5-[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(C2(CN3CCCC3)CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)nc1
InChIInChI=1S/C21H30N4O2/c1-16-4-6-18(22-14-16)21(15-24-10-2-3-11-24)8-12-25(13-9-21)20(27)17-5-7-19(26)23-17/h4,6,14,17H,2-3,5,7-13,15H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyMCEANQBVWORJBO-KRWDZBQOSA-N
XLogP1.62
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-5-[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 56716428
methyl 1-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperidine-4-carboxylate
CID 50955381
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110804076
5-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110689654
2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
(3R,4S)-4-[4-[[4-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-1,4-diazepan-1-yl]oxolan-3-ol;dihydrochloride
CID 154890188
(5S)-5-[4-(3,4-dimethylphenoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 129368292
5-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110689681
(5S)-5-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 29085018
5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 90586478
ethyl 4-[(4-methoxyphenyl)methyl]-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-4-carboxylate
CID 42191586

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 95208559) is (5S)-5-[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(C2(CN3CCCC3)CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)nc1.
What is the InChIKey of (5S)-5-[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is MCEANQBVWORJBO-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16-4-6-18(22-14-16)21(15-24-10-2-3-11-24)8-12-25(13-9-21)20(27)17-5-7-19(26)23-17/h4,6,14,17H,2-3,5,7-13,15H2,1H3,(H,23,26)/t17-/m0/s1.
What are the key properties of (5S)-5-[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 370.50 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(5-methyl-2-pyridinyl)-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95208559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).