2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one

C21H27N3O2 — CID 95197136

IUPAC2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2ccccc2[nH]1)N1CCCC[C@H]1CCN1CCCC1
InChIInChI=1S/C21H27N3O2/c25-20-15-19(22-18-9-2-1-8-17(18)20)21(26)24-13-4-3-7-16(24)10-14-23-11-5-6-12-23/h1-2,8-9,15-16H,3-7,10-14H2,(H,22,25)/t16-/m0/s1
InChIKeyQTBFBSIMNDZMGA-INIZCTEOSA-N
MW353.47 g/mol
LogP3.01
Rot. Bonds4

About 2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one

2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 95197136) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
PubChem CID95197136
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1cc(=O)c2ccccc2[nH]1)N1CCCC[C@H]1CCN1CCCC1
InChIInChI=1S/C21H27N3O2/c25-20-15-19(22-18-9-2-1-8-17(18)20)21(26)24-13-4-3-7-16(24)10-14-23-11-5-6-12-23/h1-2,8-9,15-16H,3-7,10-14H2,(H,22,25)/t16-/m0/s1
InChIKeyQTBFBSIMNDZMGA-INIZCTEOSA-N
XLogP3.01
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 95197135
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one
CID 95593582
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1H-quinolin-4-one
CID 56810081
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
(6-hydroxy-1H-indol-2-yl)-[2-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]azepan-1-yl]methanone
CID 123582249
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 23607111
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820473
6-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 91793447
3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid
CID 124701352

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one (CID 95197136) is 2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one is O=C(c1cc(=O)c2ccccc2[nH]1)N1CCCC[C@H]1CCN1CCCC1.
What is the InChIKey of 2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is QTBFBSIMNDZMGA-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-20-15-19(22-18-9-2-1-8-17(18)20)21(26)24-13-4-3-7-16(24)10-14-23-11-5-6-12-23/h1-2,8-9,15-16H,3-7,10-14H2,(H,22,25)/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one?
2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 353.47 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 95197136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).