N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide

C15H21ClN2O — CID 108990888

IUPACN-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C15H21ClN2O/c1-3-13-6-4-5-9-18(13)15(19)17-14-8-7-12(16)10-11(14)2/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyDMTKLMUTXSGCHI-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.44
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide

N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide (PubChem CID 108990888) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide
PubChem CID108990888
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C15H21ClN2O/c1-3-13-6-4-5-9-18(13)15(19)17-14-8-7-12(16)10-11(14)2/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyDMTKLMUTXSGCHI-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 112847243
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990890
N-(2,6-dichlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990919
2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 4051969
(2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 97027964
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-3-fluorobenzoic acid
CID 63190287
3-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-fluorobenzoic acid
CID 61207097
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
4-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)butan-1-one
CID 5181797
ethyl 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-2-yl]acetate
CID 56890366

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide (CID 108990888) is N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide is CCC1CCCCN1C(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide?
The InChIKey is DMTKLMUTXSGCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-13-6-4-5-9-18(13)15(19)17-14-8-7-12(16)10-11(14)2/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,19).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide?
N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 108990888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).