N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide

C14H19ClN2O — CID 115578615

IUPACN-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C14H19ClN2O/c1-16(11-12-7-3-4-8-13(12)15)14(18)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeySTSRXDVFRSMSDV-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.38
Rot. Bonds2

About N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide

N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide (PubChem CID 115578615) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide
PubChem CID115578615
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C14H19ClN2O/c1-16(11-12-7-3-4-8-13(12)15)14(18)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeySTSRXDVFRSMSDV-UHFFFAOYSA-N
XLogP3.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 61416776
N-[(2-chlorophenyl)methyl]-N-methyl-4-pyrrolidin-1-ylpentanamide
CID 119066296
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
N-[(5-chlorothiophen-2-yl)methyl]-N-methylazepane-1-carboxamide
CID 116654598
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459
4-[[azepane-1-carbonyl(methyl)amino]methyl]benzoic acid
CID 61188179
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
1-(azepan-1-yl)-2-[(2-chlorophenyl)methylamino]propan-1-one
CID 43087131
N,4-dimethyl-N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 116654477
N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78768741

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide (CID 115578615) is N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide is CN(Cc1ccccc1Cl)C(=O)N1CCCCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is STSRXDVFRSMSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-16(11-12-7-3-4-8-13(12)15)14(18)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide?
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 115578615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).