2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide

C14H20ClN3O — CID 79993547

IUPAC2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide
SMILESCC1CC(N)CN(CC(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClN3O/c1-10-6-12(16)8-18(7-10)9-14(19)17-13-4-2-11(15)3-5-13/h2-5,10,12H,6-9,16H2,1H3,(H,17,19)
InChIKeyKAVGIBMOCVAUBW-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.95
Rot. Bonds3

About 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide

2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide (PubChem CID 79993547) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide
PubChem CID79993547
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide
SMILESCC1CC(N)CN(CC(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClN3O/c1-10-6-12(16)8-18(7-10)9-14(19)17-13-4-2-11(15)3-5-13/h2-5,10,12H,6-9,16H2,1H3,(H,17,19)
InChIKeyKAVGIBMOCVAUBW-UHFFFAOYSA-N
XLogP1.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 79992672
N-(4-chlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 31045343
2-(3-amino-5-methylpiperidin-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 79993013
2-(3-amino-5-methylpiperidin-1-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 79992916
1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine
CID 79992959
2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide
CID 79993290
2-[[2-(3-amino-5-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 79992543
N-(4-chlorophenyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500174
2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide
CID 79994575
4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8540814
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8930781
N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924493

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide (CID 79993547) is 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide is CC1CC(N)CN(CC(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide?
The InChIKey is KAVGIBMOCVAUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10-6-12(16)8-18(7-10)9-14(19)17-13-4-2-11(15)3-5-13/h2-5,10,12H,6-9,16H2,1H3,(H,17,19).
What are the key properties of 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide?
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide has a molecular weight of 281.79 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 79993547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).