2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone

C22H23ClN2O — CID 113087949

IUPAC2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone
SMILESCn1c(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc2ccccc21
InChIInChI=1S/C22H23ClN2O/c1-24-20-5-3-2-4-18(20)15-21(24)17-10-12-25(13-11-17)22(26)14-16-6-8-19(23)9-7-16/h2-9,15,17H,10-14H2,1H3
InChIKeyCHTJQZYEUGLWDB-UHFFFAOYSA-N
MW366.89 g/mol
LogP4.78
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone

2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone (PubChem CID 113087949) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone
PubChem CID113087949
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone
SMILESCn1c(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc2ccccc21
InChIInChI=1S/C22H23ClN2O/c1-24-20-5-3-2-4-18(20)15-21(24)17-10-12-25(13-11-17)22(26)14-16-6-8-19(23)9-7-16/h2-9,15,17H,10-14H2,1H3
InChIKeyCHTJQZYEUGLWDB-UHFFFAOYSA-N
XLogP4.78
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone
CID 113088481
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 113088420
4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138383113
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone
CID 110646911
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 29128735
1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole
CID 113087981
(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088442
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 63596377
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108561362

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone (CID 113087949) is 2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone is Cn1c(C2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is CHTJQZYEUGLWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c1-24-20-5-3-2-4-18(20)15-21(24)17-10-12-25(13-11-17)22(26)14-16-6-8-19(23)9-7-16/h2-9,15,17H,10-14H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 366.89 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(1-methylindol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 113087949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).