3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide

C15H23N3O2 — CID 111117261

IUPAC3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(CCNC(=O)N2CCCC(CO)C2)cn1
InChIInChI=1S/C15H23N3O2/c1-12-4-5-13(9-17-12)6-7-16-15(20)18-8-2-3-14(10-18)11-19/h4-5,9,14,19H,2-3,6-8,10-11H2,1H3,(H,16,20)
InChIKeyAVSFICTYPIWIKY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.35
Rot. Bonds4

About 3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide

3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide (PubChem CID 111117261) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide
PubChem CID111117261
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide
SMILESCc1ccc(CCNC(=O)N2CCCC(CO)C2)cn1
InChIInChI=1S/C15H23N3O2/c1-12-4-5-13(9-17-12)6-7-16-15(20)18-8-2-3-14(10-18)11-19/h4-5,9,14,19H,2-3,6-8,10-11H2,1H3,(H,16,20)
InChIKeyAVSFICTYPIWIKY-UHFFFAOYSA-N
XLogP1.35
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111435204
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87000385
N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882655
N-[2-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443632
N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110894046
1-N-[2-(6-methyl-3-pyridinyl)ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide
CID 75463453
N-[(4-tert-butylphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110910288
3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90505512
(3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 95604431
2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 125010475
3-(hydroxymethyl)-N-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboxamide
CID 109399149
(1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124943393

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide (CID 111117261) is 3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide is Cc1ccc(CCNC(=O)N2CCCC(CO)C2)cn1.
What is the InChIKey of 3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide?
The InChIKey is AVSFICTYPIWIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-4-5-13(9-17-12)6-7-16-15(20)18-8-2-3-14(10-18)11-19/h4-5,9,14,19H,2-3,6-8,10-11H2,1H3,(H,16,20).
What are the key properties of 3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[2-(6-methyl-3-pyridinyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 111117261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).