N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide

C21H28N2O2 — CID 19133640

IUPACN-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC=CCC2C(=O)N2CCCCC2)c(C)c1
InChIInChI=1S/C21H28N2O2/c1-15-10-11-19(16(2)14-15)22-20(24)17-8-4-5-9-18(17)21(25)23-12-6-3-7-13-23/h4-5,10-11,14,17-18H,3,6-9,12-13H2,1-2H3,(H,22,24)
InChIKeyUQXJSPZBQYTUQC-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.84
Rot. Bonds3

About N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide

N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide (PubChem CID 19133640) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
PubChem CID19133640
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC=CCC2C(=O)N2CCCCC2)c(C)c1
InChIInChI=1S/C21H28N2O2/c1-15-10-11-19(16(2)14-15)22-20(24)17-8-4-5-9-18(17)21(25)23-12-6-3-7-13-23/h4-5,10-11,14,17-18H,3,6-9,12-13H2,1-2H3,(H,22,24)
InChIKeyUQXJSPZBQYTUQC-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-4-methylphenyl)-6-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133594
N-(4-chloro-2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132288
(1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 93083461
N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132258
N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133659
(1R,6S)-N-(4-methoxyphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 728952
N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139007
N-(2,4-dimethylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 13368842
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131920
(1R,6R)-6-[(2,5-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 690367
1-N-(2-chlorophenyl)-2-N-(2,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141508

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide (CID 19133640) is N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide is Cc1ccc(NC(=O)C2CC=CCC2C(=O)N2CCCCC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is UQXJSPZBQYTUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15-10-11-19(16(2)14-15)22-20(24)17-8-4-5-9-18(17)21(25)23-12-6-3-7-13-23/h4-5,10-11,14,17-18H,3,6-9,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 19133640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).