3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one

C15H21N3O2 — CID 86287229

IUPAC3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H21N3O2/c19-14-13(5-4-7-16-14)15(20)18-10-6-12(11-18)17-8-2-1-3-9-17/h4-5,7,12H,1-3,6,8-11H2,(H,16,19)
InChIKeyWKEBUTLCFDQSAH-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.08
Rot. Bonds2

About 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one

3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 86287229) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID86287229
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H21N3O2/c19-14-13(5-4-7-16-14)15(20)18-10-6-12(11-18)17-8-2-1-3-9-17/h4-5,7,12H,1-3,6,8-11H2,(H,16,19)
InChIKeyWKEBUTLCFDQSAH-UHFFFAOYSA-N
XLogP1.08
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 72046541
6-methyl-2-oxo-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyridine-3-carboxamide
CID 72046979
N-(1-ethylpiperidin-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 72048283
6-methyl-N-(1-methylpiperidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 72048293
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 71789174
Piperidinomethyl pyridone
CID 59117160
2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyridine-3-carboxamide
CID 96999308
3-(3,5-Dimethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 121575874
3-(3-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1H-pyridin-2-one
CID 136513228
1-(2-methylpropyl)-2-oxo-N-[(3S)-piperidin-3-yl]pyridine-3-carboxamide
CID 177658688
N-[(3S)-1-methylpiperidin-3-yl]-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
CID 177663696
N-(1-methylpiperidin-4-yl)-1-(2-methylpropyl)-2-oxopyridine-3-carboxamide
CID 177665074

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one (CID 86287229) is 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is WKEBUTLCFDQSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-14-13(5-4-7-16-14)15(20)18-10-6-12(11-18)17-8-2-1-3-9-17/h4-5,7,12H,1-3,6,8-11H2,(H,16,19).
What are the key properties of 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one?
3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 86287229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).