N-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide

C15H22N4O3 — CID 56794642

IUPACN-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide
SMILESCCC(=O)NC1CCCN(C(=O)Nc2cccn(C)c2=O)C1
InChIInChI=1S/C15H22N4O3/c1-3-13(20)16-11-6-4-9-19(10-11)15(22)17-12-7-5-8-18(2)14(12)21/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,16,20)(H,17,22)
InChIKeyCUYIKGKLHBIXLT-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.91
Rot. Bonds3

About N-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide

N-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide (PubChem CID 56794642) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide
PubChem CID56794642
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide
SMILESCCC(=O)NC1CCCN(C(=O)Nc2cccn(C)c2=O)C1
InChIInChI=1S/C15H22N4O3/c1-3-13(20)16-11-6-4-9-19(10-11)15(22)17-12-7-5-8-18(2)14(12)21/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,16,20)(H,17,22)
InChIKeyCUYIKGKLHBIXLT-UHFFFAOYSA-N
XLogP0.91
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide?
The IUPAC name of N-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide (CID 56794642) is N-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide is CCC(=O)NC1CCCN(C(=O)Nc2cccn(C)c2=O)C1.
What is the InChIKey of N-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide?
The InChIKey is CUYIKGKLHBIXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-13(20)16-11-6-4-9-19(10-11)15(22)17-12-7-5-8-18(2)14(12)21/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,16,20)(H,17,22).
What are the key properties of N-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide?
N-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3-pyridinyl)-3-(propanoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 56794642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).