N-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide

C15H20ClN3O2 — CID 79874609

IUPACN-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide
SMILESCC1CN(CC(=O)NC(=O)c2ccccc2Cl)CCC1N
InChIInChI=1S/C15H20ClN3O2/c1-10-8-19(7-6-13(10)17)9-14(20)18-15(21)11-4-2-3-5-12(11)16/h2-5,10,13H,6-9,17H2,1H3,(H,18,20,21)
InChIKeyVIGWWOLTBVADKT-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.27
Rot. Bonds3

About N-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide

N-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide (PubChem CID 79874609) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide
PubChem CID79874609
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide
SMILESCC1CN(CC(=O)NC(=O)c2ccccc2Cl)CCC1N
InChIInChI=1S/C15H20ClN3O2/c1-10-8-19(7-6-13(10)17)9-14(20)18-15(21)11-4-2-3-5-12(11)16/h2-5,10,13H,6-9,17H2,1H3,(H,18,20,21)
InChIKeyVIGWWOLTBVADKT-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3-methylpiperidin-1-yl)-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119925180
N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide
CID 102985024
2-(4-amino-3-methylpiperidin-1-yl)-N-(2,3-dichlorophenyl)acetamide;hydrochloride
CID 119924970
N-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]-2-bromobenzamide
CID 115302357
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119925182
N-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetyl]-2-chlorobenzamide
CID 66212217
2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 79874604
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 114961186
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]-2-bromobenzamide
CID 62062889
2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 79868364
2-(4-amino-3-methylpiperidin-1-yl)-N-propylacetamide;hydrochloride
CID 119925069
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide (CID 79874609) is N-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide is CC1CN(CC(=O)NC(=O)c2ccccc2Cl)CCC1N.
What is the InChIKey of N-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide?
The InChIKey is VIGWWOLTBVADKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-10-8-19(7-6-13(10)17)9-14(20)18-15(21)11-4-2-3-5-12(11)16/h2-5,10,13H,6-9,17H2,1H3,(H,18,20,21).
What are the key properties of N-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide?
N-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide has a molecular weight of 309.80 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide is sourced from PubChem (CID 79874609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).