3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide

C20H24N2O3 — CID 110922235

IUPAC3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Oc2ccccc2)cc1)N1CCCC(CO)C1
InChIInChI=1S/C20H24N2O3/c23-15-17-5-4-12-22(14-17)20(24)21-13-16-8-10-19(11-9-16)25-18-6-2-1-3-7-18/h1-3,6-11,17,23H,4-5,12-15H2,(H,21,24)
InChIKeyCGQLQXVEHBAYAS-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.39
Rot. Bonds5

About 3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide

3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 110922235) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID110922235
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Oc2ccccc2)cc1)N1CCCC(CO)C1
InChIInChI=1S/C20H24N2O3/c23-15-17-5-4-12-22(14-17)20(24)21-13-16-8-10-19(11-9-16)25-18-6-2-1-3-7-18/h1-3,6-11,17,23H,4-5,12-15H2,(H,21,24)
InChIKeyCGQLQXVEHBAYAS-UHFFFAOYSA-N
XLogP3.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110910288
N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443943
(3S)-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95597538
3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 75477203
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 86843995
4-[[[3-(benzamidomethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020331
(3R)-N-benzyl-3-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 52505386
N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110895013
[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 110878410
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
N-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84529504
3-(hydroxymethyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 47016169

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide (CID 110922235) is 3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide is O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is CGQLQXVEHBAYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-15-17-5-4-12-22(14-17)20(24)21-13-16-8-10-19(11-9-16)25-18-6-2-1-3-7-18/h1-3,6-11,17,23H,4-5,12-15H2,(H,21,24).
What are the key properties of 3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 110922235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).