3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide

C23H31N3O — CID 119953982

IUPAC3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide
SMILESCC1CN(Cc2ccccc2)CC(C)C1NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C23H31N3O/c1-17-14-26(16-19-9-5-3-6-10-19)15-18(2)23(17)25-22(27)13-21(24)20-11-7-4-8-12-20/h3-12,17-18,21,23H,13-16,24H2,1-2H3,(H,25,27)
InChIKeyUSAOTGXEFJXCNB-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.35
Rot. Bonds6

About 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide

3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide (PubChem CID 119953982) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide
PubChem CID119953982
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide
SMILESCC1CN(Cc2ccccc2)CC(C)C1NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C23H31N3O/c1-17-14-26(16-19-9-5-3-6-10-19)15-18(2)23(17)25-22(27)13-21(24)20-11-7-4-8-12-20/h3-12,17-18,21,23H,13-16,24H2,1-2H3,(H,25,27)
InChIKeyUSAOTGXEFJXCNB-UHFFFAOYSA-N
XLogP3.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide
CID 97092747
N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide
CID 97092752
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119889796
3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide
CID 115748935
N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide
CID 97226849
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119942283
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
2-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 64816023
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride
CID 119889790
3-amino-N-(4-methylpiperidin-3-yl)-3-phenylpropanamide
CID 122081114
(2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 120647087
2-(2-aminoethyl)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647090

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide (CID 119953982) is 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide is CC1CN(Cc2ccccc2)CC(C)C1NC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide?
The InChIKey is USAOTGXEFJXCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-17-14-26(16-19-9-5-3-6-10-19)15-18(2)23(17)25-22(27)13-21(24)20-11-7-4-8-12-20/h3-12,17-18,21,23H,13-16,24H2,1-2H3,(H,25,27).
What are the key properties of 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide?
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide has a molecular weight of 365.52 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 119953982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).