N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide

C15H21ClN2O — CID 63127175

IUPACN-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)NCc2ccccc2Cl)CCNCC1
InChIInChI=1S/C15H21ClN2O/c1-2-15(7-9-17-10-8-15)14(19)18-11-12-5-3-4-6-13(12)16/h3-6,17H,2,7-11H2,1H3,(H,18,19)
InChIKeyLJRNKSGZGOKKGL-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.74
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide (PubChem CID 63127175) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
PubChem CID63127175
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)NCc2ccccc2Cl)CCNCC1
InChIInChI=1S/C15H21ClN2O/c1-2-15(7-9-17-10-8-15)14(19)18-11-12-5-3-4-6-13(12)16/h3-6,17H,2,7-11H2,1H3,(H,18,19)
InChIKeyLJRNKSGZGOKKGL-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63140593
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 63141717
2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570367
1-(aminomethyl)-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 81484979
4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid
CID 63128895
2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569209
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 81379266
N-[2-(4-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63129179
4-ethyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 63127725
N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide
CID 108897742
1-[3-amino-2-(4-ethylphenyl)-3-oxopropyl]-N-[(2-chlorophenyl)methyl]cyclopropane-1-carboxamide
CID 140526672
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylpiperidine-4-carboxamide
CID 106047304

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide (CID 63127175) is N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide is CCC1(C(=O)NCc2ccccc2Cl)CCNCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide?
The InChIKey is LJRNKSGZGOKKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-15(7-9-17-10-8-15)14(19)18-11-12-5-3-4-6-13(12)16/h3-6,17H,2,7-11H2,1H3,(H,18,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 63127175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).