5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one

C21H24ClN3O3 — CID 67249267

IUPAC5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(OCC(O)CN3CCN(c4ccccc4Cl)CC3)ccc2N1
InChIInChI=1S/C21H24ClN3O3/c22-18-3-1-2-4-20(18)25-9-7-24(8-10-25)13-16(26)14-28-17-5-6-19-15(11-17)12-21(27)23-19/h1-6,11,16,26H,7-10,12-14H2,(H,23,27)
InChIKeyOVZQSQCQPVCEND-UHFFFAOYSA-N
MW401.89 g/mol
LogP2.40
Rot. Bonds6

About 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one

5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one (PubChem CID 67249267) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one
PubChem CID67249267
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(OCC(O)CN3CCN(c4ccccc4Cl)CC3)ccc2N1
InChIInChI=1S/C21H24ClN3O3/c22-18-3-1-2-4-20(18)25-9-7-24(8-10-25)13-16(26)14-28-17-5-6-19-15(11-17)12-21(27)23-19/h1-6,11,16,26H,7-10,12-14H2,(H,23,27)
InChIKeyOVZQSQCQPVCEND-UHFFFAOYSA-N
XLogP2.40
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one
CID 67248901
6-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 67250952
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(3-ethylphenoxy)propan-2-ol;oxalic acid
CID 18778135
1-(4-chloro-3-methylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2770617
(2S)-1-(4-chloro-3-methylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7025257
[4-[(2R)-3-[4-(2,5-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 25407828
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635306
(2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 1050588
2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol
CID 27732487
(2S)-1-benzhydryloxy-3-[4-(2-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 2327371
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1324667
N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 3795191

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one (CID 67249267) is 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one is O=C1Cc2cc(OCC(O)CN3CCN(c4ccccc4Cl)CC3)ccc2N1.
What is the InChIKey of 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one?
The InChIKey is OVZQSQCQPVCEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c22-18-3-1-2-4-20(18)25-9-7-24(8-10-25)13-16(26)14-28-17-5-6-19-15(11-17)12-21(27)23-19/h1-6,11,16,26H,7-10,12-14H2,(H,23,27).
What are the key properties of 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one?
5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one has a molecular weight of 401.89 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 67249267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).