3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide

C22H27ClN2O2 — CID 17012253

IUPAC3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(c2ccc(C)cc2)N2CCCCC2)cc1Cl
InChIInChI=1S/C22H27ClN2O2/c1-16-6-8-17(9-7-16)20(25-12-4-3-5-13-25)15-24-22(26)18-10-11-21(27-2)19(23)14-18/h6-11,14,20H,3-5,12-13,15H2,1-2H3,(H,24,26)
InChIKeyZZLQVXQJSHWNMT-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.61
Rot. Bonds6

About 3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide

3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 17012253) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
PubChem CID17012253
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(c2ccc(C)cc2)N2CCCCC2)cc1Cl
InChIInChI=1S/C22H27ClN2O2/c1-16-6-8-17(9-7-16)20(25-12-4-3-5-13-25)15-24-22(26)18-10-11-21(27-2)19(23)14-18/h6-11,14,20H,3-5,12-13,15H2,1-2H3,(H,24,26)
InChIKeyZZLQVXQJSHWNMT-UHFFFAOYSA-N
XLogP4.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43843406
3,4,5-trimethoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35341953
3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17013147
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
3,4-dimethoxy-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 110357424
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 112505140
3-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17427502
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide (CID 17012253) is 3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide is COc1ccc(C(=O)NCC(c2ccc(C)cc2)N2CCCCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is ZZLQVXQJSHWNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-16-6-8-17(9-7-16)20(25-12-4-3-5-13-25)15-24-22(26)18-10-11-21(27-2)19(23)14-18/h6-11,14,20H,3-5,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of 3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide?
3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 386.92 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 17012253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).