4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride

C15H31ClN4O2 — CID 119569773

IUPAC4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1CCN(C(=O)N(C)C)CC1.Cl
InChIInChI=1S/C15H30N4O2.ClH/c1-5-15(6-2,11-16)17-13(20)12-7-9-19(10-8-12)14(21)18(3)4;/h12H,5-11,16H2,1-4H3,(H,17,20);1H
InChIKeyPUNWXRJUYBCGKC-UHFFFAOYSA-N
MW334.89 g/mol
LogP1.44
Rot. Bonds5

About 4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride

4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride (PubChem CID 119569773) has the molecular formula C15H31ClN4O2 and a molecular weight of 334.89 g/mol. Its IUPAC name is 4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
PubChem CID119569773
Molecular FormulaC15H31ClN4O2
Molecular Weight334.89 g/mol
Exact Mass334.21
IUPAC Name4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1CCN(C(=O)N(C)C)CC1.Cl
InChIInChI=1S/C15H30N4O2.ClH/c1-5-15(6-2,11-16)17-13(20)12-7-9-19(10-8-12)14(21)18(3)4;/h12H,5-11,16H2,1-4H3,(H,17,20);1H
InChIKeyPUNWXRJUYBCGKC-UHFFFAOYSA-N
XLogP1.44
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride with MolForge

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Related Compounds

4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 107845526
4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119572092
4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60779224
N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide
CID 63887978
N-[3-(aminomethyl)pentan-3-yl]oxane-4-carboxamide;hydrochloride
CID 119568602
4-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 103895580
4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119610286
4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 43501083
1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
CID 104629931
N-[3-(aminomethyl)pentan-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 119572161
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate
CID 43623309
N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119570056

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride (CID 119569773) is 4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride is CCC(CC)(CN)NC(=O)C1CCN(C(=O)N(C)C)CC1.Cl.
What is the InChIKey of 4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
The InChIKey is PUNWXRJUYBCGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2.ClH/c1-5-15(6-2,11-16)17-13(20)12-7-9-19(10-8-12)14(21)18(3)4;/h12H,5-11,16H2,1-4H3,(H,17,20);1H.
What are the key properties of 4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride?
4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride has a molecular weight of 334.89 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119569773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).