1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine]

C21H23ClN2 — CID 141080073

IUPAC1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine]
SMILESClc1ccc(/C=C/CN2CCC3(CC2)CNc2ccccc23)cc1
InChIInChI=1S/C21H23ClN2/c22-18-9-7-17(8-10-18)4-3-13-24-14-11-21(12-15-24)16-23-20-6-2-1-5-19(20)21/h1-10,23H,11-16H2/b4-3+
InChIKeyRFFHAZWBWBAUJJ-ONEGZZNKSA-N
MW338.88 g/mol
LogP4.81
Rot. Bonds3

About 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine]

1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine] (PubChem CID 141080073) has the molecular formula C21H23ClN2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine].

Molecular Properties

Compound Name1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine]
PubChem CID141080073
Molecular FormulaC21H23ClN2
Molecular Weight338.88 g/mol
Exact Mass338.15
IUPAC Name1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine]
SMILESClc1ccc(/C=C/CN2CCC3(CC2)CNc2ccccc23)cc1
InChIInChI=1S/C21H23ClN2/c22-18-9-7-17(8-10-18)4-3-13-24-14-11-21(12-15-24)16-23-20-6-2-1-5-19(20)21/h1-10,23H,11-16H2/b4-3+
InChIKeyRFFHAZWBWBAUJJ-ONEGZZNKSA-N
XLogP4.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine]
CID 58046534
1'-[(E)-3-(4-methoxyphenyl)prop-2-enyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 56903074
4-(4-chlorophenoxy)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylic acid
CID 70738535
ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 143386492
(E)-3-(3-bromo-4-fluorophenyl)-1-[4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]prop-2-en-1-one
CID 59305208
spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
CID 75465012
2-methoxy-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 166286568
pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 67667343
(3S)-1'-propylspiro[1,2-dihydroindole-3,3'-piperidine]
CID 141031190
ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 123637985
N-cyclopropyl-3-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpropanamide
CID 166283639
[5-chloro-1'-[3-(4-chlorophenyl)prop-2-enyl]spiro[2H-indole-3,4'-azepane]-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 76609022

Frequently Asked Questions

What is the IUPAC name of 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine]?
The IUPAC name of 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine] (CID 141080073) is 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine].
What is the SMILES notation for 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine]?
The canonical SMILES for 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine] is Clc1ccc(/C=C/CN2CCC3(CC2)CNc2ccccc23)cc1.
What is the InChIKey of 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine]?
The InChIKey is RFFHAZWBWBAUJJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C21H23ClN2/c22-18-9-7-17(8-10-18)4-3-13-24-14-11-21(12-15-24)16-23-20-6-2-1-5-19(20)21/h1-10,23H,11-16H2/b4-3+.
What are the key properties of 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine]?
1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine] has a molecular weight of 338.88 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]spiro[1,2-dihydroindole-3,4'-piperidine] is sourced from PubChem (CID 141080073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).