N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide

C19H27ClN2O2 — CID 113007215

IUPACN-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CCC(C(=O)Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C19H27ClN2O2/c1-4-14(5-2)19(24)22-11-9-15(10-12-22)18(23)21-17-8-6-7-16(20)13(17)3/h6-8,14-15H,4-5,9-12H2,1-3H3,(H,21,23)
InChIKeyKYFWPDWCQPPKHC-UHFFFAOYSA-N
MW350.89 g/mol
LogP4.26
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide

N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide (PubChem CID 113007215) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
PubChem CID113007215
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC NameN-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CCC(C(=O)Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C19H27ClN2O2/c1-4-14(5-2)19(24)22-11-9-15(10-12-22)18(23)21-17-8-6-7-16(20)13(17)3/h6-8,14-15H,4-5,9-12H2,1-3H3,(H,21,23)
InChIKeyKYFWPDWCQPPKHC-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113008292
1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 113076702
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689
4-N-(3-chloro-2-methylphenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
CID 109147112
1-(2-ethylbutanoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007804
4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149844
ethyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008394
1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 17498503
N-(3,4-difluorophenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113008986
methyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008005
1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134253
N-(3-chloro-2-methylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642542

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide (CID 113007215) is N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide is CCC(CC)C(=O)N1CCC(C(=O)Nc2cccc(Cl)c2C)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide?
The InChIKey is KYFWPDWCQPPKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-4-14(5-2)19(24)22-11-9-15(10-12-22)18(23)21-17-8-6-7-16(20)13(17)3/h6-8,14-15H,4-5,9-12H2,1-3H3,(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide?
N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide has a molecular weight of 350.89 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).