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

C14H20ClN3O — CID 102669340

IUPAC4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide
SMILESCC1CC(N)CCN1Cc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-9-6-12(16)4-5-18(9)8-11-3-2-10(14(17)19)7-13(11)15/h2-3,7,9,12H,4-6,8,16H2,1H3,(H2,17,19)
InChIKeyNUQOIDOQSWJBTE-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.75
Rot. Bonds3

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

4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide (PubChem CID 102669340) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide
PubChem CID102669340
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide
SMILESCC1CC(N)CCN1Cc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-9-6-12(16)4-5-18(9)8-11-3-2-10(14(17)19)7-13(11)15/h2-3,7,9,12H,4-6,8,16H2,1H3,(H2,17,19)
InChIKeyNUQOIDOQSWJBTE-UHFFFAOYSA-N
XLogP1.75
TPSA72.35 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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-amino-2-methylpiperidin-1-yl)methyl]benzoic acid
CID 115312935
3-chloro-4-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666917
3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide
CID 102669228
3-chloro-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 166594028
4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide
CID 103577160
1-[(2-chloro-4-methylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106865365
1-[(4-bromo-2-chlorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744992
3-chloro-4-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 102669705
1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745166
4-(4-amino-2-methylpiperidin-1-yl)sulfonylbenzamide
CID 115312529
3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide
CID 102664681
3-chloro-4-[(thian-4-ylamino)methyl]benzamide
CID 102665132

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide?
The IUPAC name of 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide (CID 102669340) is 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide.
What is the SMILES notation for 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide?
The canonical SMILES for 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide is CC1CC(N)CCN1Cc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide?
The InChIKey is NUQOIDOQSWJBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-9-6-12(16)4-5-18(9)8-11-3-2-10(14(17)19)7-13(11)15/h2-3,7,9,12H,4-6,8,16H2,1H3,(H2,17,19).
What are the key properties of 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide?
4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide has a molecular weight of 281.79 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3-chlorobenzamide is sourced from PubChem (CID 102669340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).