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

C16H23N3O2 — CID 103832228

IUPAC2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC(C3CCCN3)CC2)c[nH]1
InChIInChI=1S/C16H23N3O2/c1-11-9-15(20)13(10-18-11)16(21)19-7-4-12(5-8-19)14-3-2-6-17-14/h9-10,12,14,17H,2-8H2,1H3,(H,18,20)
InChIKeyJHHDBKWIDCOXOT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.29
Rot. Bonds2

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

2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one (PubChem CID 103832228) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one
PubChem CID103832228
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC(C3CCCN3)CC2)c[nH]1
InChIInChI=1S/C16H23N3O2/c1-11-9-15(20)13(10-18-11)16(21)19-7-4-12(5-8-19)14-3-2-6-17-14/h9-10,12,14,17H,2-8H2,1H3,(H,18,20)
InChIKeyJHHDBKWIDCOXOT-UHFFFAOYSA-N
XLogP1.29
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259463
(5-methyl-1H-pyrazol-4-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999596
(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259067
(2-iodophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999409
5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 63259107
(5-methylfuran-3-yl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 114821961
(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259329
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 103946512
(5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259160
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
(4-tert-butylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 119999802
2-methyl-5-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 56909455

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one (CID 103832228) is 2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCC(C3CCCN3)CC2)c[nH]1.
What is the InChIKey of 2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one?
The InChIKey is JHHDBKWIDCOXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-9-15(20)13(10-18-11)16(21)19-7-4-12(5-8-19)14-3-2-6-17-14/h9-10,12,14,17H,2-8H2,1H3,(H,18,20).
What are the key properties of 2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one?
2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one has a molecular weight of 289.38 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one is sourced from PubChem (CID 103832228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).