N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride

C18H33ClN4O2 — CID 119611127

IUPACN-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C18H32N4O2.ClH/c19-13-15-5-1-2-6-16(15)20-17(23)14-7-11-22(12-8-14)18(24)21-9-3-4-10-21;/h14-16H,1-13,19H2,(H,20,23);1H
InChIKeyMNBQWRPYHZRLCT-UHFFFAOYSA-N
MW372.94 g/mol
LogP1.97
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119611127) has the molecular formula C18H33ClN4O2 and a molecular weight of 372.94 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119611127
Molecular FormulaC18H33ClN4O2
Molecular Weight372.94 g/mol
Exact Mass372.23
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C18H32N4O2.ClH/c19-13-15-5-1-2-6-16(15)20-17(23)14-7-11-22(12-8-14)18(24)21-9-3-4-10-21;/h14-16H,1-13,19H2,(H,20,23);1H
InChIKeyMNBQWRPYHZRLCT-UHFFFAOYSA-N
XLogP1.97
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119610286
N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119612379
N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide
CID 119612086
N-[2-(aminomethyl)cyclopentyl]pyrrolidine-1-carboxamide
CID 79162307
N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride
CID 119600451
N-[2-(aminomethyl)cyclohexyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 119610612
4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119605290
N-[2-(aminomethyl)cyclohexyl]-1-benzoylpiperidine-3-carboxamide
CID 119612151
N-[2-(aminomethyl)cyclohexyl]-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119610772
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
N-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride
CID 119611735

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride (CID 119611127) is N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is MNBQWRPYHZRLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2.ClH/c19-13-15-5-1-2-6-16(15)20-17(23)14-7-11-22(12-8-14)18(24)21-9-3-4-10-21;/h14-16H,1-13,19H2,(H,20,23);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 372.94 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119611127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).