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

C20H23ClN2O — CID 18121058

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23ClN2O/c1-15-4-2-3-5-19(15)20(24)22-18-10-12-23(13-11-18)14-16-6-8-17(21)9-7-16/h2-9,18H,10-14H2,1H3,(H,22,24)
InChIKeyVLWXKOSTQKHJPW-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.04
Rot. Bonds4

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

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 18121058) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID18121058
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23ClN2O/c1-15-4-2-3-5-19(15)20(24)22-18-10-12-23(13-11-18)14-16-6-8-17(21)9-7-16/h2-9,18H,10-14H2,1H3,(H,22,24)
InChIKeyVLWXKOSTQKHJPW-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 110009371
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
CID 8590309
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211
N-[1-[4-(4-chlorophenyl)-4-oxobutanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512668
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide
CID 55532512
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxochromene-3-carboxamide
CID 18121067
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
CID 10200703
N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 46341484
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78864355

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide (CID 18121058) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is VLWXKOSTQKHJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-15-4-2-3-5-19(15)20(24)22-18-10-12-23(13-11-18)14-16-6-8-17(21)9-7-16/h2-9,18H,10-14H2,1H3,(H,22,24).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 342.87 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 18121058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).