2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide

C17H27N3O — CID 79322712

IUPAC2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CN1CCC(N)CC1)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-2-6-16(14-7-4-3-5-8-14)19-17(21)13-20-11-9-15(18)10-12-20/h3-5,7-8,15-16H,2,6,9-13,18H2,1H3,(H,19,21)
InChIKeyIPSDXODEVOJQLO-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.07
Rot. Bonds6

About 2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide

2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide (PubChem CID 79322712) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide
PubChem CID79322712
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CN1CCC(N)CC1)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-2-6-16(14-7-4-3-5-8-14)19-17(21)13-20-11-9-15(18)10-12-20/h3-5,7-8,15-16H,2,6,9-13,18H2,1H3,(H,19,21)
InChIKeyIPSDXODEVOJQLO-UHFFFAOYSA-N
XLogP2.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide 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

2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 110891594
1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 119904107
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86911679
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
2-(4-aminopiperidin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 79322682
N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide
CID 8719392
2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylbutyl)acetamide
CID 86908311
2-(1,4-diazepan-1-yl)-N-(1-phenylbutyl)acetamide
CID 62838472
N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 17470308
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346721
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9347122
(2R)-2-[[2-(4-aminopiperidin-1-yl)acetyl]amino]pentanoic acid
CID 107565058

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide (CID 79322712) is 2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide is CCCC(NC(=O)CN1CCC(N)CC1)c1ccccc1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide?
The InChIKey is IPSDXODEVOJQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-6-16(14-7-4-3-5-8-14)19-17(21)13-20-11-9-15(18)10-12-20/h3-5,7-8,15-16H,2,6,9-13,18H2,1H3,(H,19,21).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide?
2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide is sourced from PubChem (CID 79322712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).