N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride

C23H36ClN3O2 — CID 119589481

IUPACN-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NC(CN)C3CCCCC3)C2)c1.Cl
InChIInChI=1S/C23H35N3O2.ClH/c1-16-11-17(2)13-20(12-16)23(28)26-10-6-9-19(15-26)22(27)25-21(14-24)18-7-4-3-5-8-18;/h11-13,18-19,21H,3-10,14-15,24H2,1-2H3,(H,25,27);1H
InChIKeyMJECMHCELPHCBL-UHFFFAOYSA-N
MW422.01 g/mol
LogP3.60
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119589481) has the molecular formula C23H36ClN3O2 and a molecular weight of 422.01 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119589481
Molecular FormulaC23H36ClN3O2
Molecular Weight422.01 g/mol
Exact Mass421.25
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NC(CN)C3CCCCC3)C2)c1.Cl
InChIInChI=1S/C23H35N3O2.ClH/c1-16-11-17(2)13-20(12-16)23(28)26-10-6-9-19(15-26)22(27)25-21(14-24)18-7-4-3-5-8-18;/h11-13,18-19,21H,3-10,14-15,24H2,1-2H3,(H,25,27);1H
InChIKeyMJECMHCELPHCBL-UHFFFAOYSA-N
XLogP3.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.01
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 46488810
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119591920
methyl 2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-3,3-dimethylbutanoate
CID 71875373
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide
CID 120829554
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647
2-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methylbutanoic acid
CID 119199011
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
1-(3,5-dimethylbenzoyl)-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 119430235
N-(2-aminophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119422003
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
1-(3,5-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 46489523

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride (CID 119589481) is N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)NC(CN)C3CCCCC3)C2)c1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is MJECMHCELPHCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2.ClH/c1-16-11-17(2)13-20(12-16)23(28)26-10-6-9-19(15-26)22(27)25-21(14-24)18-7-4-3-5-8-18;/h11-13,18-19,21H,3-10,14-15,24H2,1-2H3,(H,25,27);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 422.01 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119589481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).