2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide

C17H25ClN2O — CID 106862275

IUPAC2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CC2CCNCC2)C(C)C)c(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-12(2)20(11-14-6-8-19-9-7-14)17(21)15-5-4-13(3)10-16(15)18/h4-5,10,12,14,19H,6-9,11H2,1-3H3
InChIKeyWUUCSQGAJAOJBG-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.50
Rot. Bonds4

About 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide

2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide (PubChem CID 106862275) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
PubChem CID106862275
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CC2CCNCC2)C(C)C)c(Cl)c1
InChIInChI=1S/C17H25ClN2O/c1-12(2)20(11-14-6-8-19-9-7-14)17(21)15-5-4-13(3)10-16(15)18/h4-5,10,12,14,19H,6-9,11H2,1-3H3
InChIKeyWUUCSQGAJAOJBG-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79721152
5-bromo-2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702221
5-chloro-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702408
3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702736
2,4-difluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702095
3-bromo-4-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107990652
3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79701981
5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 79720707
5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 79720431
2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 106860492
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54945824
3-bromo-2-fluoro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107956248

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide (CID 106862275) is 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N(CC2CCNCC2)C(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is WUUCSQGAJAOJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-12(2)20(11-14-6-8-19-9-7-14)17(21)15-5-4-13(3)10-16(15)18/h4-5,10,12,14,19H,6-9,11H2,1-3H3.
What are the key properties of 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide?
2-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 308.85 g/mol, XLogP of 3.50, 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-4-ylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 106862275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).