N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide

C16H23ClN2O — CID 108990890

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C16H23ClN2O/c1-4-13-7-5-6-8-19(13)16(20)18-15-12(3)9-11(2)10-14(15)17/h9-10,13H,4-8H2,1-3H3,(H,18,20)
InChIKeyXYUVQDSHQOBPKA-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.75
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide (PubChem CID 108990890) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide
PubChem CID108990890
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C16H23ClN2O/c1-4-13-7-5-6-8-19(13)16(20)18-15-12(3)9-11(2)10-14(15)17/h9-10,13H,4-8H2,1-3H3,(H,18,20)
InChIKeyXYUVQDSHQOBPKA-UHFFFAOYSA-N
XLogP4.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dichlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990919
3,5-dichloro-4-[(2-ethylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 82811744
[5-(2-chloro-4,6-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288530
N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990888
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
N-(2-chloro-4,6-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113155035
N-(2,6-difluorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990928
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583041
2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 47125609
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
CID 112977193
2-[[(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 41291522

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide (CID 108990890) is N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide is CCC1CCCCN1C(=O)Nc1c(C)cc(C)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide?
The InChIKey is XYUVQDSHQOBPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-4-13-7-5-6-8-19(13)16(20)18-15-12(3)9-11(2)10-14(15)17/h9-10,13H,4-8H2,1-3H3,(H,18,20).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 108990890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).