1-methyl-4-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-yl]pyridin-2-one

C18H27N3O2 — CID 138385747

IUPAC1-methyl-4-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-yl]pyridin-2-one
SMILESCC(C(=O)N1CCCC1)N1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C18H27N3O2/c1-14(18(23)21-8-3-4-9-21)20-11-6-15(7-12-20)16-5-10-19(2)17(22)13-16/h5,10,13-15H,3-4,6-9,11-12H2,1-2H3
InChIKeyOPENWGKQZSKEEA-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.58
Rot. Bonds3

About 1-methyl-4-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-yl]pyridin-2-one

1-methyl-4-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-yl]pyridin-2-one (PubChem CID 138385747) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-methyl-4-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-yl]pyridin-2-one
PubChem CID138385747
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-methyl-4-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-yl]pyridin-2-one
SMILESCC(C(=O)N1CCCC1)N1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C18H27N3O2/c1-14(18(23)21-8-3-4-9-21)20-11-6-15(7-12-20)16-5-10-19(2)17(22)13-16/h5,10,13-15H,3-4,6-9,11-12H2,1-2H3
InChIKeyOPENWGKQZSKEEA-UHFFFAOYSA-N
XLogP1.58
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(Dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 71927903
1-[2-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 97096943
1-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 97096944
1-[2-[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 97096945
1-[2-[(3S,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 97096946
1-[2-Oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 133885502
ethane;1-[(2E,3Z,5S)-5-ethenyl-2,3-bis(prop-2-enylidene)pyrrolidin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 142034247
2-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrol-1-yl]-1-[4-[(1E,3Z,5Z)-4-methylhepta-1,3,5-trienyl]piperidin-1-yl]propan-1-one
CID 143497497
5-methyl-2-[(3S)-1-methyl-2-oxo-4,5-dihydro-3H-azepin-3-yl]-4,5-dihydroisoindole-1,3-dione
CID 155480149
1-[1-[2-(Dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one
CID 155572329
4-Propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one
CID 166030840
1-Methyl-4-(1-propan-2-ylpiperidin-4-yl)pyridin-2-one
CID 176692470

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-yl]pyridin-2-one (CID 138385747) is 1-methyl-4-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-yl]pyridin-2-one is CC(C(=O)N1CCCC1)N1CCC(c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 1-methyl-4-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-yl]pyridin-2-one?
The InChIKey is OPENWGKQZSKEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(18(23)21-8-3-4-9-21)20-11-6-15(7-12-20)16-5-10-19(2)17(22)13-16/h5,10,13-15H,3-4,6-9,11-12H2,1-2H3.
What are the key properties of 1-methyl-4-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-yl]pyridin-2-one?
1-methyl-4-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-yl]pyridin-2-one has a molecular weight of 317.43 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidin-4-yl]pyridin-2-one is sourced from PubChem (CID 138385747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).