N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

C20H26Cl2N2O2 — CID 109150113

IUPACN-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CCC(C(=O)Nc3ccc(Cl)cc3Cl)CC2)C1
InChIInChI=1S/C20H26Cl2N2O2/c1-13-3-2-10-24(12-13)20(26)15-6-4-14(5-7-15)19(25)23-18-9-8-16(21)11-17(18)22/h8-9,11,13-15H,2-7,10,12H2,1H3,(H,23,25)
InChIKeyAECLTMFYIIWKCY-UHFFFAOYSA-N
MW397.35 g/mol
LogP5.00
Rot. Bonds3

About N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide

N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109150113) has the molecular formula C20H26Cl2N2O2 and a molecular weight of 397.35 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109150113
Molecular FormulaC20H26Cl2N2O2
Molecular Weight397.35 g/mol
Exact Mass396.14
IUPAC NameN-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCC1CCCN(C(=O)C2CCC(C(=O)Nc3ccc(Cl)cc3Cl)CC2)C1
InChIInChI=1S/C20H26Cl2N2O2/c1-13-3-2-10-24(12-13)20(26)15-6-4-14(5-7-15)19(25)23-18-9-8-16(21)11-17(18)22/h8-9,11,13-15H,2-7,10,12H2,1H3,(H,23,25)
InChIKeyAECLTMFYIIWKCY-UHFFFAOYSA-N
XLogP5.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150076
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 109150231
1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144629
N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145686
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966816
N-(2,6-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150123
4-(3-methylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 109150093
4-(3-methylpiperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide
CID 109150065
4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 54928746
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026
N-(4-chloro-2-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26410092

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide (CID 109150113) is N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is CC1CCCN(C(=O)C2CCC(C(=O)Nc3ccc(Cl)cc3Cl)CC2)C1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is AECLTMFYIIWKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2O2/c1-13-3-2-10-24(12-13)20(26)15-6-4-14(5-7-15)19(25)23-18-9-8-16(21)11-17(18)22/h8-9,11,13-15H,2-7,10,12H2,1H3,(H,23,25).
What are the key properties of N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide?
N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 397.35 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109150113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).