4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride

C16H31ClN4O2 — CID 119610286

IUPAC4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
SMILESCN(C)C(=O)N1CCC(C(=O)NC2CCCCC2CN)CC1.Cl
InChIInChI=1S/C16H30N4O2.ClH/c1-19(2)16(22)20-9-7-12(8-10-20)15(21)18-14-6-4-3-5-13(14)11-17;/h12-14H,3-11,17H2,1-2H3,(H,18,21);1H
InChIKeyXIOGSSMNGQZIEX-UHFFFAOYSA-N
MW346.90 g/mol
LogP1.44
Rot. Bonds3

About 4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride

4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride (PubChem CID 119610286) has the molecular formula C16H31ClN4O2 and a molecular weight of 346.90 g/mol. Its IUPAC name is 4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
PubChem CID119610286
Molecular FormulaC16H31ClN4O2
Molecular Weight346.90 g/mol
Exact Mass346.21
IUPAC Name4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
SMILESCN(C)C(=O)N1CCC(C(=O)NC2CCCCC2CN)CC1.Cl
InChIInChI=1S/C16H30N4O2.ClH/c1-19(2)16(22)20-9-7-12(8-10-20)15(21)18-14-6-4-3-5-13(14)11-17;/h12-14H,3-11,17H2,1-2H3,(H,18,21);1H
InChIKeyXIOGSSMNGQZIEX-UHFFFAOYSA-N
XLogP1.44
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119611127
4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 104927639
4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119605290
N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119612379
N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide
CID 119612086
4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 46103923
4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119569773
N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride
CID 119600451
4-(cyclopropanecarbonylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 108561749
N-[2-(aminomethyl)cyclohexyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 119610612
4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 43501083
4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60779224

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride (CID 119610286) is 4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride is CN(C)C(=O)N1CCC(C(=O)NC2CCCCC2CN)CC1.Cl.
What is the InChIKey of 4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
The InChIKey is XIOGSSMNGQZIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2.ClH/c1-19(2)16(22)20-9-7-12(8-10-20)15(21)18-14-6-4-3-5-13(14)11-17;/h12-14H,3-11,17H2,1-2H3,(H,18,21);1H.
What are the key properties of 4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119610286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).