(2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

C21H25N3O — CID 9432303

IUPAC(2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C21H25N3O/c1-17(24-12-11-18-7-5-6-10-20(18)24)21(25)23-15-13-22(14-16-23)19-8-3-2-4-9-19/h2-10,17H,11-16H2,1H3/t17-/m1/s1
InChIKeyYJEWCYNHFOYYNI-QGZVFWFLSA-N
MW335.45 g/mol
LogP2.79
Rot. Bonds3

About (2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

(2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 9432303) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID9432303
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCc2ccccc21
InChIInChI=1S/C21H25N3O/c1-17(24-12-11-18-7-5-6-10-20(18)24)21(25)23-15-13-22(14-16-23)19-8-3-2-4-9-19/h2-10,17H,11-16H2,1H3/t17-/m1/s1
InChIKeyYJEWCYNHFOYYNI-QGZVFWFLSA-N
XLogP2.79
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,3-dihydroindol-1-yl)propan-1-one
CID 9432317
2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 68738267
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
1-(4-phenylpiperazin-1-yl)-2-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one
CID 167962160
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 79195732
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 8704347

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 9432303) is (2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one is C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCc2ccccc21.
What is the InChIKey of (2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is YJEWCYNHFOYYNI-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N3O/c1-17(24-12-11-18-7-5-6-10-20(18)24)21(25)23-15-13-22(14-16-23)19-8-3-2-4-9-19/h2-10,17H,11-16H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
(2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 335.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 9432303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).