2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide

C16H24ClN3O — CID 79323070

IUPAC2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)CN1CCC(N)CC1
InChIInChI=1S/C16H24ClN3O/c1-12(13-3-5-14(17)6-4-13)19(2)16(21)11-20-9-7-15(18)8-10-20/h3-6,12,15H,7-11,18H2,1-2H3
InChIKeyIIPDWPJYWJREDR-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.28
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide

2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide (PubChem CID 79323070) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
PubChem CID79323070
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)CN1CCC(N)CC1
InChIInChI=1S/C16H24ClN3O/c1-12(13-3-5-14(17)6-4-13)19(2)16(21)11-20-9-7-15(18)8-10-20/h3-6,12,15H,7-11,18H2,1-2H3
InChIKeyIIPDWPJYWJREDR-UHFFFAOYSA-N
XLogP2.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 78900799
2-(4-aminopiperidin-1-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 81353847
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 79328175
N-butan-2-yl-2-[4-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 78898039
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide
CID 60939297
1-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119906682
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide;hydrochloride
CID 120773223
1-[2-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 97117053
N-[(1S)-1-(4-cyclopentylphenyl)ethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 92968552
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 112841348
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
2-(4-aminopiperidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 43556875

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide (CID 79323070) is 2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide is CC(c1ccc(Cl)cc1)N(C)C(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide?
The InChIKey is IIPDWPJYWJREDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-12(13-3-5-14(17)6-4-13)19(2)16(21)11-20-9-7-15(18)8-10-20/h3-6,12,15H,7-11,18H2,1-2H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide?
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide has a molecular weight of 309.84 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 79323070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).