N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide

C14H19ClN2O2 — CID 80703460

IUPACN-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C)(O)CC2)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-10-3-4-11(9-12(10)15)16-13(18)17-7-5-14(2,19)6-8-17/h3-4,9,19H,5-8H2,1-2H3,(H,16,18)
InChIKeyYQNHNIVEMIADMI-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.03
Rot. Bonds1

About N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide

N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide (PubChem CID 80703460) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
PubChem CID80703460
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C)(O)CC2)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-10-3-4-11(9-12(10)15)16-13(18)17-7-5-14(2,19)6-8-17/h3-4,9,19H,5-8H2,1-2H3,(H,16,18)
InChIKeyYQNHNIVEMIADMI-UHFFFAOYSA-N
XLogP3.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 81108634
N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
CID 103993100
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
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4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70755232
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
N-(3-chloro-4-methylphenyl)-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 55768358
3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 103727848
N-(3-chloro-4-methylphenyl)-4-(3-ethoxypyrazin-2-yl)piperazine-1-carboxamide
CID 166227505
1-[(4-chloro-3-fluorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124130
N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide (CID 80703460) is N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(C)(O)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide?
The InChIKey is YQNHNIVEMIADMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10-3-4-11(9-12(10)15)16-13(18)17-7-5-14(2,19)6-8-17/h3-4,9,19H,5-8H2,1-2H3,(H,16,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide?
N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 3.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 80703460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).