2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

C22H23ClN2O2 — CID 60561349

IUPAC2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C22H23ClN2O2/c23-19-7-5-17(6-8-19)22(27)18-9-12-24(13-10-18)15-21(26)25-14-11-16-3-1-2-4-20(16)25/h1-8,18H,9-15H2
InChIKeyMDYOQRMDMXGKGB-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.82
Rot. Bonds4

About 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 60561349) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID60561349
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C22H23ClN2O2/c23-19-7-5-17(6-8-19)22(27)18-9-12-24(13-10-18)15-21(26)25-14-11-16-3-1-2-4-20(16)25/h1-8,18H,9-15H2
InChIKeyMDYOQRMDMXGKGB-UHFFFAOYSA-N
XLogP3.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 738382
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119933655
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119905160
1-(2,3-dihydroindol-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 55064419
1-(2,3-dihydroindol-1-yl)-2-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119927826
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 24674722
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
1-(2,3-dihydroindol-1-yl)-2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone
CID 163306632
2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7919205

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (CID 60561349) is 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is O=C(c1ccc(Cl)cc1)C1CCN(CC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is MDYOQRMDMXGKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c23-19-7-5-17(6-8-19)22(27)18-9-12-24(13-10-18)15-21(26)25-14-11-16-3-1-2-4-20(16)25/h1-8,18H,9-15H2.
What are the key properties of 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 382.89 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 60561349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).