1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide

C14H19ClN2O2 — CID 103196768

IUPAC1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(Cl)cc2CO)C1
InChIInChI=1S/C14H19ClN2O2/c1-16-14(19)10-3-2-6-17(8-10)13-5-4-12(15)7-11(13)9-18/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,16,19)
InChIKeyWQMQKJAADAHRPU-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.79
Rot. Bonds3

About 1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide

1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103196768) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
PubChem CID103196768
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(Cl)cc2CO)C1
InChIInChI=1S/C14H19ClN2O2/c1-16-14(19)10-3-2-6-17(8-10)13-5-4-12(15)7-11(13)9-18/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,16,19)
InChIKeyWQMQKJAADAHRPU-UHFFFAOYSA-N
XLogP1.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196759
1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196736
1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196369
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103196348
1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103194575
1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide
CID 133286024
1-(4-bromo-2-cyanophenyl)-N-methylpiperidine-3-carboxamide
CID 103721853
[5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol
CID 114218552
1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194316
[5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 114845724
(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 134288449
1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319086

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide (CID 103196768) is 1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2ccc(Cl)cc2CO)C1.
What is the InChIKey of 1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is WQMQKJAADAHRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-16-14(19)10-3-2-6-17(8-10)13-5-4-12(15)7-11(13)9-18/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,16,19).
What are the key properties of 1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide?
1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103196768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).