N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide

C17H25ClN2O — CID 114428187

IUPACN-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NC(C)Cc2ccccc2Cl)C1
InChIInChI=1S/C17H25ClN2O/c1-3-13-8-9-19-16(11-13)17(21)20-12(2)10-14-6-4-5-7-15(14)18/h4-7,12-13,16,19H,3,8-11H2,1-2H3,(H,20,21)
InChIKeyIUCZJIOPRKFPHO-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.17
Rot. Bonds5

About N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide

N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide (PubChem CID 114428187) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide
PubChem CID114428187
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NC(C)Cc2ccccc2Cl)C1
InChIInChI=1S/C17H25ClN2O/c1-3-13-8-9-19-16(11-13)17(21)20-12(2)10-14-6-4-5-7-15(14)18/h4-7,12-13,16,19H,3,8-11H2,1-2H3,(H,20,21)
InChIKeyIUCZJIOPRKFPHO-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-2-carboxamide
CID 114428230
4-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidine-2-carboxamide
CID 114429111
4-ethyl-N-(1-phenylethyl)piperidine-2-carboxamide
CID 114427805
4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114428012
(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 81123725
4-ethyl-N-(1-methoxypropan-2-yl)piperidine-2-carboxamide
CID 114427831
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide
CID 114428229
4-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104921952
N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide
CID 62210178
N-(2-chloro-6-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114429222
4-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
CID 104921936
N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119308681

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide (CID 114428187) is N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide is CCC1CCNC(C(=O)NC(C)Cc2ccccc2Cl)C1.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide?
The InChIKey is IUCZJIOPRKFPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-13-8-9-19-16(11-13)17(21)20-12(2)10-14-6-4-5-7-15(14)18/h4-7,12-13,16,19H,3,8-11H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide?
N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 114428187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).