2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide

C16H23ClN2O — CID 106862150

IUPAC2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C)cc1Cl)C1CCCNC1
InChIInChI=1S/C16H23ClN2O/c1-3-9-19(13-5-4-8-18-11-13)16(20)14-7-6-12(2)10-15(14)17/h6-7,10,13,18H,3-5,8-9,11H2,1-2H3
InChIKeyQSVOTJMUISMVTI-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.25
Rot. Bonds4

About 2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide

2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide (PubChem CID 106862150) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide
PubChem CID106862150
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C)cc1Cl)C1CCCNC1
InChIInChI=1S/C16H23ClN2O/c1-3-9-19(13-5-4-8-18-11-13)16(20)14-7-6-12(2)10-15(14)17/h6-7,10,13,18H,3-5,8-9,11H2,1-2H3
InChIKeyQSVOTJMUISMVTI-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-piperidin-3-yl-N-propylbenzamide
CID 63637268
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
5-chloro-2-hydroxy-N-piperidin-3-yl-N-propylbenzamide
CID 63636752
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
6-methyl-2-oxo-N-piperidin-3-yl-N-propyl-1H-pyridine-3-carboxamide
CID 104772838
5-fluoro-2-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63050163
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide
CID 106509715
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799979
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide
CID 63636405
N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide
CID 60800165

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide?
The IUPAC name of 2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide (CID 106862150) is 2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide?
The canonical SMILES for 2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide is CCCN(C(=O)c1ccc(C)cc1Cl)C1CCCNC1.
What is the InChIKey of 2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide?
The InChIKey is QSVOTJMUISMVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-9-19(13-5-4-8-18-11-13)16(20)14-7-6-12(2)10-15(14)17/h6-7,10,13,18H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide?
2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide has a molecular weight of 294.83 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide is sourced from PubChem (CID 106862150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).