1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one

C17H24N4O2 — CID 119490576

IUPAC1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one
SMILESCNC1CCCN(C(=O)C2CC(=O)N(C)C2c2cccnc2)C1
InChIInChI=1S/C17H24N4O2/c1-18-13-6-4-8-21(11-13)17(23)14-9-15(22)20(2)16(14)12-5-3-7-19-10-12/h3,5,7,10,13-14,16,18H,4,6,8-9,11H2,1-2H3
InChIKeyQIXHHYWNIHYUBC-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.81
Rot. Bonds3

About 1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one

1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 119490576) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one
PubChem CID119490576
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one
SMILESCNC1CCCN(C(=O)C2CC(=O)N(C)C2c2cccnc2)C1
InChIInChI=1S/C17H24N4O2/c1-18-13-6-4-8-21(11-13)17(23)14-9-15(22)20(2)16(14)12-5-3-7-19-10-12/h3,5,7,10,13-14,16,18H,4,6,8-9,11H2,1-2H3
InChIKeyQIXHHYWNIHYUBC-UHFFFAOYSA-N
XLogP0.81
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-[3-(methylamino)piperidine-1-carbonyl]-6-phenylpiperidin-2-one;hydrochloride
CID 119490707
methyl (3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
CID 58291565
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 98005945
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 16744276
2-[(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119348829
(2S,3S)-1-methyl-5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 136584260
(4S,5S)-1-methyl-5-(4-methylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 98881750
1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 56806046
(4R,5R)-5-(4-fluorophenyl)-1-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 124776857
N-(3-aminopropyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 175604220

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of 1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one (CID 119490576) is 1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one is CNC1CCCN(C(=O)C2CC(=O)N(C)C2c2cccnc2)C1.
What is the InChIKey of 1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is QIXHHYWNIHYUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-18-13-6-4-8-21(11-13)17(23)14-9-15(22)20(2)16(14)12-5-3-7-19-10-12/h3,5,7,10,13-14,16,18H,4,6,8-9,11H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one?
1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(methylamino)piperidine-1-carbonyl]-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 119490576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).