N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide

C19H21ClN2O2 — CID 110884355

IUPACN-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O2/c20-16-6-8-17(9-7-16)21-19(24)22-12-10-15(11-13-22)18(23)14-4-2-1-3-5-14/h1-9,15,18,23H,10-13H2,(H,21,24)
InChIKeyKGGBEJTXZPZETM-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.32
Rot. Bonds3

About N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide

N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide (PubChem CID 110884355) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
PubChem CID110884355
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O2/c20-16-6-8-17(9-7-16)21-19(24)22-12-10-15(11-13-22)18(23)14-4-2-1-3-5-14/h1-9,15,18,23H,10-13H2,(H,21,24)
InChIKeyKGGBEJTXZPZETM-UHFFFAOYSA-N
XLogP4.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(S)-hydroxy(phenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 51547304
N-(2-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110890318
2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119321789
N-[4-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]acetamide
CID 134023910
N-[2-(2-chlorophenoxy)phenyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 55698903
N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide
CID 46100821
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
N-cyclopentyl-4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 38206268
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 55743984
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
4-[(4-chlorophenyl)-hydroxymethyl]-N-prop-2-ynylpiperidine-1-carboxamide
CID 111111196

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide (CID 110884355) is N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide?
The InChIKey is KGGBEJTXZPZETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-16-6-8-17(9-7-16)21-19(24)22-12-10-15(11-13-22)18(23)14-4-2-1-3-5-14/h1-9,15,18,23H,10-13H2,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide?
N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide has a molecular weight of 344.84 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 110884355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).