3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride

C15H29ClN4O2 — CID 119591920

IUPAC3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CCCN(C(N)=O)C1)C1CCCCC1
InChIInChI=1S/C15H28N4O2.ClH/c16-9-13(11-5-2-1-3-6-11)18-14(20)12-7-4-8-19(10-12)15(17)21;/h11-13H,1-10,16H2,(H2,17,21)(H,18,20);1H
InChIKeyLFBPYXFEICEMKS-UHFFFAOYSA-N
MW332.88 g/mol
LogP1.22
Rot. Bonds4

About 3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride

3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride (PubChem CID 119591920) has the molecular formula C15H29ClN4O2 and a molecular weight of 332.88 g/mol. Its IUPAC name is 3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride
PubChem CID119591920
Molecular FormulaC15H29ClN4O2
Molecular Weight332.88 g/mol
Exact Mass332.20
IUPAC Name3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CCCN(C(N)=O)C1)C1CCCCC1
InChIInChI=1S/C15H28N4O2.ClH/c16-9-13(11-5-2-1-3-6-11)18-14(20)12-7-4-8-19(10-12)15(17)21;/h11-13H,1-10,16H2,(H2,17,21)(H,18,20);1H
InChIKeyLFBPYXFEICEMKS-UHFFFAOYSA-N
XLogP1.22
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119589481
N-(2-amino-1-cyclohexylethyl)-1-methylpiperidine-4-carboxamide
CID 119591982
1-acetyl-N-(2-amino-1-cyclohexylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119588926
(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 114005009
N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide
CID 81485419
3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119614252
N-(2-amino-1-cyclopentylethyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106737463
ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate
CID 61344950
N-(2-amino-1-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 79161120
3-N-cyclopentyloxypiperidine-1,3-dicarboxamide
CID 83202179
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid
CID 81077471
2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid
CID 119035659

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride (CID 119591920) is 3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride is Cl.NCC(NC(=O)C1CCCN(C(N)=O)C1)C1CCCCC1.
What is the InChIKey of 3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride?
The InChIKey is LFBPYXFEICEMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2.ClH/c16-9-13(11-5-2-1-3-6-11)18-14(20)12-7-4-8-19(10-12)15(17)21;/h11-13H,1-10,16H2,(H2,17,21)(H,18,20);1H.
What are the key properties of 3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride?
3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119591920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).