2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide

C15H21ClN2O — CID 106862146

IUPAC2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCC2CCCNC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-11-4-5-13(14(16)9-11)15(19)18-8-6-12-3-2-7-17-10-12/h4-5,9,12,17H,2-3,6-8,10H2,1H3,(H,18,19)
InChIKeyCKPQQNJJXRDKJA-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.77
Rot. Bonds4

About 2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide

2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 106862146) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID106862146
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCC2CCCNC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-11-4-5-13(14(16)9-11)15(19)18-8-6-12-3-2-7-17-10-12/h4-5,9,12,17H,2-3,6-8,10H2,1H3,(H,18,19)
InChIKeyCKPQQNJJXRDKJA-UHFFFAOYSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630406
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556879
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 79749359
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990344
4-fluoro-2-iodo-N-(2-piperidin-3-ylethyl)benzamide
CID 103806776

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide (CID 106862146) is 2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide is Cc1ccc(C(=O)NCCC2CCCNC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is CKPQQNJJXRDKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-4-5-13(14(16)9-11)15(19)18-8-6-12-3-2-7-17-10-12/h4-5,9,12,17H,2-3,6-8,10H2,1H3,(H,18,19).
What are the key properties of 2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide?
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 280.80 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 106862146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).