N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide

C19H22N2O2 — CID 166262555

IUPACN-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c22-14-15-8-10-18(11-9-15)20-19(23)21-12-4-7-17(13-21)16-5-2-1-3-6-16/h1-3,5-6,8-11,17,22H,4,7,12-14H2,(H,20,23)
InChIKeyZWQTYAFOTUPSII-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.59
Rot. Bonds3

About N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide

N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide (PubChem CID 166262555) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide
PubChem CID166262555
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)N1CCCC(c2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c22-14-15-8-10-18(11-9-15)20-19(23)21-12-4-7-17(13-21)16-5-2-1-3-6-16/h1-3,5-6,8-11,17,22H,4,7,12-14H2,(H,20,23)
InChIKeyZWQTYAFOTUPSII-UHFFFAOYSA-N
XLogP3.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 86871510
(3R)-3-phenyl-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 1433497
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
(3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 92872490
N-(3,4-dimethoxyphenyl)-3-phenylazepane-1-carboxamide
CID 90608592
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
CID 61200700
3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334219
(3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide
CID 125156002
N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
CID 59764610
(3S)-N-(4-cyclobutylphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 125139496
N-[4-(hydroxymethyl)phenyl]-2-(4-phenylcyclohexyl)acetamide
CID 121325134

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide (CID 166262555) is N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide is O=C(Nc1ccc(CO)cc1)N1CCCC(c2ccccc2)C1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide?
The InChIKey is ZWQTYAFOTUPSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-14-15-8-10-18(11-9-15)20-19(23)21-12-4-7-17(13-21)16-5-2-1-3-6-16/h1-3,5-6,8-11,17,22H,4,7,12-14H2,(H,20,23).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide?
N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 166262555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).