3-(hydroxymethyl)-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide

C13H19N3O2 — CID 75503753

IUPAC3-(hydroxymethyl)-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide
SMILESCc1ccnc(NC(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C13H19N3O2/c1-10-4-5-14-12(7-10)15-13(18)16-6-2-3-11(8-16)9-17/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,14,15,18)
InChIKeyPNIJBVHBADGELY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.63
Rot. Bonds2

About 3-(hydroxymethyl)-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide

3-(hydroxymethyl)-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide (PubChem CID 75503753) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide
PubChem CID75503753
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(hydroxymethyl)-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide
SMILESCc1ccnc(NC(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C13H19N3O2/c1-10-4-5-14-12(7-10)15-13(18)16-6-2-3-11(8-16)9-17/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,14,15,18)
InChIKeyPNIJBVHBADGELY-UHFFFAOYSA-N
XLogP1.63
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide (CID 75503753) is 3-(hydroxymethyl)-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide is Cc1ccnc(NC(=O)N2CCCC(CO)C2)c1.
What is the InChIKey of 3-(hydroxymethyl)-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide?
The InChIKey is PNIJBVHBADGELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-4-5-14-12(7-10)15-13(18)16-6-2-3-11(8-16)9-17/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,14,15,18).
What are the key properties of 3-(hydroxymethyl)-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide?
3-(hydroxymethyl)-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 75503753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).