4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one

C22H28N4O3 — CID 172664056

IUPAC4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)N1CCC(c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C22H28N4O3/c1-15-5-13-26(18-3-8-23-9-4-18)22(29)20(15)21(28)25-11-6-16(7-12-25)17-2-10-24-19(27)14-17/h2,5,10,13-14,16,18,23H,3-4,6-9,11-12H2,1H3,(H,24,27)
InChIKeyDNPJLBFZZWSBIV-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.79
Rot. Bonds3

About 4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one

4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one (PubChem CID 172664056) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one
PubChem CID172664056
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)N1CCC(c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C22H28N4O3/c1-15-5-13-26(18-3-8-23-9-4-18)22(29)20(15)21(28)25-11-6-16(7-12-25)17-2-10-24-19(27)14-17/h2,5,10,13-14,16,18,23H,3-4,6-9,11-12H2,1H3,(H,24,27)
InChIKeyDNPJLBFZZWSBIV-UHFFFAOYSA-N
XLogP1.79
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one with MolForge

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Related Compounds

4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one
CID 138377966
3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl)-4-methyl-1-piperidin-4-ylpyridin-2-one
CID 172666555
4-[1-(2-ethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one
CID 138807182
4-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1H-pyridin-2-one
CID 138379715
N-(1,3-diethyl-6-methyl-2-oxobenzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172673603
1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one
CID 172659827
1-(4-fluorophenyl)-4-methyl-3-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]pyridin-2-one
CID 172666863
4-methyl-3-(4-methylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 110647524
N-(3H-benzimidazol-5-yl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172664179
4-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172911814
1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172656509
4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one
CID 172658297

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one?
The IUPAC name of 4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one (CID 172664056) is 4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one.
What is the SMILES notation for 4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one?
The canonical SMILES for 4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one is Cc1ccn(C2CCNCC2)c(=O)c1C(=O)N1CCC(c2cc[nH]c(=O)c2)CC1.
What is the InChIKey of 4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one?
The InChIKey is DNPJLBFZZWSBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-15-5-13-26(18-3-8-23-9-4-18)22(29)20(15)21(28)25-11-6-16(7-12-25)17-2-10-24-19(27)14-17/h2,5,10,13-14,16,18,23H,3-4,6-9,11-12H2,1H3,(H,24,27).
What are the key properties of 4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one?
4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one has a molecular weight of 396.49 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one is sourced from PubChem (CID 172664056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).