2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide

C17H25ClN2O — CID 106862424

IUPAC2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCCN1)C(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C17H25ClN2O/c1-3-10-20(12-14-6-4-5-9-19-14)17(21)15-8-7-13(2)11-16(15)18/h7-8,11,14,19H,3-6,9-10,12H2,1-2H3
InChIKeyLIHFZBXGGDBJHF-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.64
Rot. Bonds5

About 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide

2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide (PubChem CID 106862424) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
PubChem CID106862424
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCCN1)C(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C17H25ClN2O/c1-3-10-20(12-14-6-4-5-9-19-14)17(21)15-8-7-13(2)11-16(15)18/h7-8,11,14,19H,3-6,9-10,12H2,1-2H3
InChIKeyLIHFZBXGGDBJHF-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107940286
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625817
2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625849
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
5-fluoro-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625545
2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107983269
5-chloro-N-(piperidin-2-ylmethyl)-N-propylthiophene-2-carboxamide
CID 106625640
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106611897
5-methyl-N-(piperidin-2-ylmethyl)-N-propylfuran-3-carboxamide
CID 106625551
4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608555

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The IUPAC name of 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide (CID 106862424) is 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide is CCCN(CC1CCCCN1)C(=O)c1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The InChIKey is LIHFZBXGGDBJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-10-20(12-14-6-4-5-9-19-14)17(21)15-8-7-13(2)11-16(15)18/h7-8,11,14,19H,3-6,9-10,12H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide has a molecular weight of 308.85 g/mol, XLogP of 3.64, 5 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-2-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 106862424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).