3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide

C19H23N3O2 — CID 110894997

IUPAC3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)N1CCCC(CO)C1
InChIInChI=1S/C19H23N3O2/c23-14-15-7-6-12-22(13-15)19(24)21-18(16-8-2-1-3-9-16)17-10-4-5-11-20-17/h1-5,8-11,15,18,23H,6-7,12-14H2,(H,21,24)
InChIKeyOUZCVLXIWPJBHO-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.58
Rot. Bonds4

About 3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide

3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 110894997) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide
PubChem CID110894997
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccn1)N1CCCC(CO)C1
InChIInChI=1S/C19H23N3O2/c23-14-15-7-6-12-22(13-15)19(24)21-18(16-8-2-1-3-9-16)17-10-4-5-11-20-17/h1-5,8-11,15,18,23H,6-7,12-14H2,(H,21,24)
InChIKeyOUZCVLXIWPJBHO-UHFFFAOYSA-N
XLogP2.58
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide
CID 110882604
N-benzhydryl-3-(hydroxymethyl)azetidine-1-carboxamide
CID 121105871
1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122008448
N-benzhydryl-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505520
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110895013
(2R)-N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97227060
2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 146133775
phenyl-[(3S)-3-[[[(S)-phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 100748164
1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122008446
(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107826333

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide (CID 110894997) is 3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide is O=C(NC(c1ccccc1)c1ccccn1)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is OUZCVLXIWPJBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-14-15-7-6-12-22(13-15)19(24)21-18(16-8-2-1-3-9-16)17-10-4-5-11-20-17/h1-5,8-11,15,18,23H,6-7,12-14H2,(H,21,24).
What are the key properties of 3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 110894997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).