4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide

C22H34N4O2 — CID 119596833

IUPAC4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide
SMILESCC(N)C1CCCN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H34N4O2/c1-17(23)20-9-6-12-26(16-20)21(27)19-10-13-25(14-11-19)22(28)24(2)15-18-7-4-3-5-8-18/h3-5,7-8,17,19-20H,6,9-16,23H2,1-2H3
InChIKeyNUHSGVNMJWPQME-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.54
Rot. Bonds4

About 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide

4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide (PubChem CID 119596833) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide
PubChem CID119596833
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide
SMILESCC(N)C1CCCN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H34N4O2/c1-17(23)20-9-6-12-26(16-20)21(27)19-10-13-25(14-11-19)22(28)24(2)15-18-7-4-3-5-8-18/h3-5,7-8,17,19-20H,6,9-16,23H2,1-2H3
InChIKeyNUHSGVNMJWPQME-UHFFFAOYSA-N
XLogP2.54
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
CID 119413514
N-benzyl-N-methyl-4-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidine-1-carboxamide;hydrochloride
CID 119398967
4-(4-aminopiperidine-1-carbonyl)-N-benzyl-N-methylpiperidine-1-carboxamide;hydrochloride
CID 119376921
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
[3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119593361
1-[3-(1-aminoethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one;hydrochloride
CID 119595280
N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide;hydrochloride
CID 119594746
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119520839
4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 45219648
4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
CID 119296596

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide (CID 119596833) is 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide is CC(N)C1CCCN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)C1.
What is the InChIKey of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide?
The InChIKey is NUHSGVNMJWPQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-17(23)20-9-6-12-26(16-20)21(27)19-10-13-25(14-11-19)22(28)24(2)15-18-7-4-3-5-8-18/h3-5,7-8,17,19-20H,6,9-16,23H2,1-2H3.
What are the key properties of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide?
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 119596833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).