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

C19H22Cl2N2O2 — CID 19133659

IUPACN-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CC=CCC1C(=O)N1CCCCC1
InChIInChI=1S/C19H22Cl2N2O2/c20-16-9-8-13(12-17(16)21)22-18(24)14-6-2-3-7-15(14)19(25)23-10-4-1-5-11-23/h2-3,8-9,12,14-15H,1,4-7,10-11H2,(H,22,24)
InChIKeyZCRPFJDEXIOOPS-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.53
Rot. Bonds3

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

N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide (PubChem CID 19133659) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
PubChem CID19133659
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC NameN-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CC=CCC1C(=O)N1CCCCC1
InChIInChI=1S/C19H22Cl2N2O2/c20-16-9-8-13(12-17(16)21)22-18(24)14-6-2-3-7-15(14)19(25)23-10-4-1-5-11-23/h2-3,8-9,12,14-15H,1,4-7,10-11H2,(H,22,24)
InChIKeyZCRPFJDEXIOOPS-UHFFFAOYSA-N
XLogP4.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.53
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-(3,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131966
(1R,6S)-N-(4-methoxyphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 728952
(1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 1125529
N-(3-chlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131903
N-(2,4-dimethylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133640
6-[(3-chloro-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 588270
(1R,6S)-N-methyl-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 93083461
(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 51941064
(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161112
1-N-(2-chlorophenyl)-2-N-(3,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142847
(1S,6S)-6-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1080158
(1R,6R)-6-[[3-chloro-4-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7366451

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide (CID 19133659) is N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)C1CC=CCC1C(=O)N1CCCCC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is ZCRPFJDEXIOOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c20-16-9-8-13(12-17(16)21)22-18(24)14-6-2-3-7-15(14)19(25)23-10-4-1-5-11-23/h2-3,8-9,12,14-15H,1,4-7,10-11H2,(H,22,24).
What are the key properties of N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 381.30 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 19133659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).