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

C21H35ClN4O2 — CID 119572092

IUPAC4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C21H34N4O2.ClH/c1-4-21(5-2,16-22)23-19(26)18-11-13-25(14-12-18)20(27)24(3)15-17-9-7-6-8-10-17;/h6-10,18H,4-5,11-16,22H2,1-3H3,(H,23,26);1H
InChIKeyXCUCVAULVQOCGO-UHFFFAOYSA-N
MW410.99 g/mol
LogP3.01
Rot. Bonds7

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

4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride (PubChem CID 119572092) has the molecular formula C21H35ClN4O2 and a molecular weight of 410.99 g/mol. Its IUPAC name is 4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride
PubChem CID119572092
Molecular FormulaC21H35ClN4O2
Molecular Weight410.99 g/mol
Exact Mass410.24
IUPAC Name4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1.Cl
InChIInChI=1S/C21H34N4O2.ClH/c1-4-21(5-2,16-22)23-19(26)18-11-13-25(14-12-18)20(27)24(3)15-17-9-7-6-8-10-17;/h6-10,18H,4-5,11-16,22H2,1-3H3,(H,23,26);1H
InChIKeyXCUCVAULVQOCGO-UHFFFAOYSA-N
XLogP3.01
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.99
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-N-[3-(aminomethyl)pentan-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119569773
4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119605290
4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
CID 119376921
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
CID 119413514
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride
CID 119398967
1-[benzyl(methyl)carbamoyl]piperidine-2-carboxylic acid
CID 61186390
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide
CID 119596833
4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61187481
N-[3-(aminomethyl)pentan-3-yl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119570033
4-[[(4-aminopiperidine-1-carbonyl)-methylamino]methyl]benzoic acid
CID 61402615
4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
CID 119296596

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride (CID 119572092) is 4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride is CCC(CC)(CN)NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1.Cl.
What is the InChIKey of 4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride?
The InChIKey is XCUCVAULVQOCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2.ClH/c1-4-21(5-2,16-22)23-19(26)18-11-13-25(14-12-18)20(27)24(3)15-17-9-7-6-8-10-17;/h6-10,18H,4-5,11-16,22H2,1-3H3,(H,23,26);1H.
What are the key properties of 4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride?
4-N-[3-(aminomethyl)pentan-3-yl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride has a molecular weight of 410.99 g/mol, XLogP of 3.01, 7 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-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 119572092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).