4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide

C20H23ClN2O — CID 108760627

IUPAC4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
SMILESCC1CCN(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C20H23ClN2O/c1-15-10-12-23(13-11-15)14-16-2-8-19(9-3-16)22-20(24)17-4-6-18(21)7-5-17/h2-9,15H,10-14H2,1H3,(H,22,24)
InChIKeyRJYMXGIKBKMLRW-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.82
Rot. Bonds4

About 4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide

4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide (PubChem CID 108760627) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
PubChem CID108760627
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
SMILESCC1CCN(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C20H23ClN2O/c1-15-10-12-23(13-11-15)14-16-2-8-19(9-3-16)22-20(24)17-4-6-18(21)7-5-17/h2-9,15H,10-14H2,1H3,(H,22,24)
InChIKeyRJYMXGIKBKMLRW-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30388448
ethyl 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 92678317
N-(2,4-dichlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92646467
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 108737738
N-[4-(1-adamantyl)phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 38106623
dimethyl 5-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylate
CID 92676048
N-(4-chlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919467
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92671720
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 99949801

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide (CID 108760627) is 4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide is CC1CCN(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide?
The InChIKey is RJYMXGIKBKMLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-15-10-12-23(13-11-15)14-16-2-8-19(9-3-16)22-20(24)17-4-6-18(21)7-5-17/h2-9,15H,10-14H2,1H3,(H,22,24).
What are the key properties of 4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide?
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide has a molecular weight of 342.87 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 108760627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).