5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one

C16H22N2O2 — CID 103717698

IUPAC5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCC2C2CCCC2)c[nH]1
InChIInChI=1S/C16H22N2O2/c1-11-9-15(19)13(10-17-11)16(20)18-8-4-7-14(18)12-5-2-3-6-12/h9-10,12,14H,2-8H2,1H3,(H,17,19)
InChIKeyUMGXGDHYNVHAFQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.48
Rot. Bonds2

About 5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one

5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one (PubChem CID 103717698) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
PubChem CID103717698
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCCC2C2CCCC2)c[nH]1
InChIInChI=1S/C16H22N2O2/c1-11-9-15(19)13(10-17-11)16(20)18-8-4-7-14(18)12-5-2-3-6-12/h9-10,12,14H,2-8H2,1H3,(H,17,19)
InChIKeyUMGXGDHYNVHAFQ-UHFFFAOYSA-N
XLogP2.48
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103718289
5-[2-(bromomethyl)azepane-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 114039337
2-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one
CID 103785634
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 71873396
(4-bromo-1H-pyrrol-2-yl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 47268425
5-(4-amino-2-methylpiperidine-1-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103821481
3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one
CID 56818810
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-bromo-5-methylphenyl)methanone
CID 81109880
5-[(4aR,7aS)-6,6-dioxo-1-propanoyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carbonyl]-2-methyl-1H-pyridin-4-one
CID 70780776
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829954
(5-bromo-2-methylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 65309174
2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one
CID 103832228

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one (CID 103717698) is 5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCCC2C2CCCC2)c[nH]1.
What is the InChIKey of 5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one?
The InChIKey is UMGXGDHYNVHAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-9-15(19)13(10-17-11)16(20)18-8-4-7-14(18)12-5-2-3-6-12/h9-10,12,14H,2-8H2,1H3,(H,17,19).
What are the key properties of 5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one?
5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one has a molecular weight of 274.36 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylpyrrolidine-1-carbonyl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 103717698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).