3-(4-chloro-2-methylphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]benzamide

C21H25ClN2O2 — CID 118784652

IUPAC3-(4-chloro-2-methylphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]benzamide
SMILESCc1cc(Cl)ccc1-c1cccc(C(=O)NCC2(O)CCN(C)CC2)c1
InChIInChI=1S/C21H25ClN2O2/c1-15-12-18(22)6-7-19(15)16-4-3-5-17(13-16)20(25)23-14-21(26)8-10-24(2)11-9-21/h3-7,12-13,26H,8-11,14H2,1-2H3,(H,23,25)
InChIKeyVHFPIDOQNFWMCL-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.50
Rot. Bonds4

About 3-(4-chloro-2-methylphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]benzamide

3-(4-chloro-2-methylphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 118784652) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]benzamide
PubChem CID118784652
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name3-(4-chloro-2-methylphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]benzamide
SMILESCc1cc(Cl)ccc1-c1cccc(C(=O)NCC2(O)CCN(C)CC2)c1
InChIInChI=1S/C21H25ClN2O2/c1-15-12-18(22)6-7-19(15)16-4-3-5-17(13-16)20(25)23-14-21(26)8-10-24(2)11-9-21/h3-7,12-13,26H,8-11,14H2,1-2H3,(H,23,25)
InChIKeyVHFPIDOQNFWMCL-UHFFFAOYSA-N
XLogP3.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(3-hydroxypentan-3-yl)piperidin-1-yl]butyl]-N-methylbenzamide
CID 54537190
2-(3-chlorophenyl)-6-fluoro-N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]benzamide
CID 46871844
N1-(2-(aminomethyl)-5-chlorobenzyl)-N3,N3-diisobutyl-5-methylisophthalamide
CID 53320316
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-ethyl-1-hydroxy-propyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 9914111
N,N-Diethyl-4-(4-chlorophenyl-piperidin-4-ylidene-methyl)-benzamide
CID 10714960
3-chloro-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
CID 11330061
N-[4-[4-(2-Acetylamino-ethyl)-piperidin-1-yl]-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide
CID 22405753
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 24758172
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 24759191
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3-dimethylbenzamide
CID 57888715
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxopentan-2-yl]-2-methylbenzamide
CID 57888775
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 57888925

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3-(4-chloro-2-methylphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]benzamide (CID 118784652) is 3-(4-chloro-2-methylphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(4-chloro-2-methylphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-(4-chloro-2-methylphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]benzamide is Cc1cc(Cl)ccc1-c1cccc(C(=O)NCC2(O)CCN(C)CC2)c1.
What is the InChIKey of 3-(4-chloro-2-methylphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is VHFPIDOQNFWMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-15-12-18(22)6-7-19(15)16-4-3-5-17(13-16)20(25)23-14-21(26)8-10-24(2)11-9-21/h3-7,12-13,26H,8-11,14H2,1-2H3,(H,23,25).
What are the key properties of 3-(4-chloro-2-methylphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]benzamide?
3-(4-chloro-2-methylphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 372.90 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylphenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 118784652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).