3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide

C17H25ClN2O — CID 106626553

IUPAC3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
SMILESCc1cc(Cl)cc(C(=O)N(CC2CCCCN2)C(C)C)c1
InChIInChI=1S/C17H25ClN2O/c1-12(2)20(11-16-6-4-5-7-19-16)17(21)14-8-13(3)9-15(18)10-14/h8-10,12,16,19H,4-7,11H2,1-3H3
InChIKeyWPXOEMUMJVOAAA-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.64
Rot. Bonds4

About 3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide

3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide (PubChem CID 106626553) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
PubChem CID106626553
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
SMILESCc1cc(Cl)cc(C(=O)N(CC2CCCCN2)C(C)C)c1
InChIInChI=1S/C17H25ClN2O/c1-12(2)20(11-16-6-4-5-7-19-16)17(21)14-8-13(3)9-15(18)10-14/h8-10,12,16,19H,4-7,11H2,1-3H3
InChIKeyWPXOEMUMJVOAAA-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626366
3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626571
3-chloro-4-fluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609627
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
4-chloro-1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106610041
N-butyl-3-chloro-5-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612127
5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626603
2-(4-chlorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626635
4-chloro-1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106609823
5-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylthiophene-3-carboxamide
CID 106626706
3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607655

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide (CID 106626553) is 3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide is Cc1cc(Cl)cc(C(=O)N(CC2CCCCN2)C(C)C)c1.
What is the InChIKey of 3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is WPXOEMUMJVOAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-12(2)20(11-16-6-4-5-7-19-16)17(21)14-8-13(3)9-15(18)10-14/h8-10,12,16,19H,4-7,11H2,1-3H3.
What are the key properties of 3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide?
3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 308.85 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 106626553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).