3-chloro-N-(1-methylpiperidin-3-yl)benzamide

C13H17ClN2O — CID 77452165

IUPAC3-chloro-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C13H17ClN2O/c1-16-7-3-6-12(9-16)15-13(17)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,17)
InChIKeyQGQCJFGXNIPAGW-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.16
Rot. Bonds2

About 3-chloro-N-(1-methylpiperidin-3-yl)benzamide

3-chloro-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 77452165) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-chloro-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID77452165
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name3-chloro-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C13H17ClN2O/c1-16-7-3-6-12(9-16)15-13(17)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,17)
InChIKeyQGQCJFGXNIPAGW-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 61211762
3-bromo-4-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 103707349
3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
CID 61342409
N-(1-methylpiperidin-3-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998661
3-(1H-indol-5-yl)-N-(1-methylpiperidin-3-yl)benzamide
CID 163593437
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 47422175
3-chloro-N-[(1S,3R)-3-hydroxycyclohexyl]benzamide
CID 95983840
3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375158
[2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate
CID 150279764

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 3-chloro-N-(1-methylpiperidin-3-yl)benzamide (CID 77452165) is 3-chloro-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 3-chloro-N-(1-methylpiperidin-3-yl)benzamide is CN1CCCC(NC(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 3-chloro-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is QGQCJFGXNIPAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-16-7-3-6-12(9-16)15-13(17)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,15,17).
What are the key properties of 3-chloro-N-(1-methylpiperidin-3-yl)benzamide?
3-chloro-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 252.74 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 77452165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).