3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one

C15H21N3O2 — CID 63259156

IUPAC3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H21N3O2/c19-14-12(3-1-8-17-14)15(20)18-9-5-11(6-10-18)13-4-2-7-16-13/h1,3,8,11,13,16H,2,4-7,9-10H2,(H,17,19)
InChIKeyFQJFQSYFDOXEDY-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.98
Rot. Bonds2

About 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one

3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 63259156) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID63259156
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C15H21N3O2/c19-14-12(3-1-8-17-14)15(20)18-9-5-11(6-10-18)13-4-2-7-16-13/h1,3,8,11,13,16H,2,4-7,9-10H2,(H,17,19)
InChIKeyFQJFQSYFDOXEDY-UHFFFAOYSA-N
XLogP0.98
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one (CID 63259156) is 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is FQJFQSYFDOXEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-14-12(3-1-8-17-14)15(20)18-9-5-11(6-10-18)13-4-2-7-16-13/h1,3,8,11,13,16H,2,4-7,9-10H2,(H,17,19).
What are the key properties of 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one?
3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 63259156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).