1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone

C22H27ClN2O2 — CID 110825339

IUPAC1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone
SMILESCOc1ccc(C(CNCC(=O)c2ccc(Cl)cc2)N2CCCCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-27-20-11-7-17(8-12-20)21(25-13-3-2-4-14-25)15-24-16-22(26)18-5-9-19(23)10-6-18/h5-12,21,24H,2-4,13-16H2,1H3
InChIKeyXFYOZKKXTWULFG-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.35
Rot. Bonds8

About 1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone

1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone (PubChem CID 110825339) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone
PubChem CID110825339
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone
SMILESCOc1ccc(C(CNCC(=O)c2ccc(Cl)cc2)N2CCCCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-27-20-11-7-17(8-12-20)21(25-13-3-2-4-14-25)15-24-16-22(26)18-5-9-19(23)10-6-18/h5-12,21,24H,2-4,13-16H2,1H3
InChIKeyXFYOZKKXTWULFG-UHFFFAOYSA-N
XLogP4.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]ethanone
CID 110825336
1-(4-methoxyphenyl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
CID 110825707
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
2-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-(4-nitrophenyl)ethanone
CID 110830116
4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 112789965
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308
1-(3-fluoro-4-methoxyphenyl)-2-[(2-phenyl-2-piperidin-1-ylethyl)amino]ethanone
CID 110825838
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 42912923
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
2-[[2-(4-methylphenyl)-2-piperidin-1-ylethyl]amino]-1-(4-nitrophenyl)ethanone
CID 110830131

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone (CID 110825339) is 1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone is COc1ccc(C(CNCC(=O)c2ccc(Cl)cc2)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone?
The InChIKey is XFYOZKKXTWULFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-27-20-11-7-17(8-12-20)21(25-13-3-2-4-14-25)15-24-16-22(26)18-5-9-19(23)10-6-18/h5-12,21,24H,2-4,13-16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone?
1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone has a molecular weight of 386.92 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]ethanone is sourced from PubChem (CID 110825339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).