N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide

C24H29ClN2O2 — CID 24759191

IUPACN-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C
InChIInChI=1S/C24H29ClN2O2/c1-16(2)22(26-23(28)21-7-5-4-6-17(21)3)24(29)27-14-12-19(13-15-27)18-8-10-20(25)11-9-18/h4-11,16,19,22H,12-15H2,1-3H3,(H,26,28)
InChIKeyXARMZAVQMJMYJM-UHFFFAOYSA-N
MW412.96 g/mol
LogP4.81
Rot. Bonds5

About N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide

N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide (PubChem CID 24759191) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
PubChem CID24759191
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC NameN-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C
InChIInChI=1S/C24H29ClN2O2/c1-16(2)22(26-23(28)21-7-5-4-6-17(21)3)24(29)27-14-12-19(13-15-27)18-8-10-20(25)11-9-18/h4-11,16,19,22H,12-15H2,1-3H3,(H,26,28)
InChIKeyXARMZAVQMJMYJM-UHFFFAOYSA-N
XLogP4.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide (CID 24759191) is N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C.
What is the InChIKey of N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The InChIKey is XARMZAVQMJMYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O2/c1-16(2)22(26-23(28)21-7-5-4-6-17(21)3)24(29)27-14-12-19(13-15-27)18-8-10-20(25)11-9-18/h4-11,16,19,22H,12-15H2,1-3H3,(H,26,28).
What are the key properties of N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide has a molecular weight of 412.96 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 24759191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).