N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide

C16H23ClN2O — CID 63122209

IUPACN-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)C1(C)CCNCC1
InChIInChI=1S/C16H23ClN2O/c1-3-19(12-13-5-4-6-14(17)11-13)15(20)16(2)7-9-18-10-8-16/h4-6,11,18H,3,7-10,12H2,1-2H3
InChIKeyPNZWGXXZHKIBRP-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.08
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide

N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide (PubChem CID 63122209) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide
PubChem CID63122209
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)C1(C)CCNCC1
InChIInChI=1S/C16H23ClN2O/c1-3-19(12-13-5-4-6-14(17)11-13)15(20)16(2)7-9-18-10-8-16/h4-6,11,18H,3,7-10,12H2,1-2H3
InChIKeyPNZWGXXZHKIBRP-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63139872
N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylpiperidine-4-carboxamide
CID 63121984
2-(1-aminocyclopentyl)-N-[(3-chlorophenyl)methyl]-N-ethylacetamide
CID 64684681
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119690228
N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618338
N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514771
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548
2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-5-hydroxybenzamide
CID 107074471
4-[(3-chlorophenyl)methyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672699
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624881
N-[(3-chlorophenyl)methyl]-N-ethyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717535
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide (CID 63122209) is N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide is CCN(Cc1cccc(Cl)c1)C(=O)C1(C)CCNCC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide?
The InChIKey is PNZWGXXZHKIBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-19(12-13-5-4-6-14(17)11-13)15(20)16(2)7-9-18-10-8-16/h4-6,11,18H,3,7-10,12H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide?
N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 63122209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).