1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one

C19H29N3O2 — CID 95610917

IUPAC1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one
SMILESC[C@@H]1CN(CCC(=O)N2CCc3ccccc32)CCN1C[C@@H](C)O
InChIInChI=1S/C19H29N3O2/c1-15-13-20(11-12-21(15)14-16(2)23)9-8-19(24)22-10-7-17-5-3-4-6-18(17)22/h3-6,15-16,23H,7-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyUNEBTBSYXFNRHT-HZPDHXFCSA-N
MW331.46 g/mol
LogP1.35
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one

1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one (PubChem CID 95610917) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one
PubChem CID95610917
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one
SMILESC[C@@H]1CN(CCC(=O)N2CCc3ccccc32)CCN1C[C@@H](C)O
InChIInChI=1S/C19H29N3O2/c1-15-13-20(11-12-21(15)14-16(2)23)9-8-19(24)22-10-7-17-5-3-4-6-18(17)22/h3-6,15-16,23H,7-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyUNEBTBSYXFNRHT-HZPDHXFCSA-N
XLogP1.35
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110020014
1-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110665050
3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665042
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]propan-2-ol
CID 56802797
1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid
CID 119904122
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 18133495
1-(2,3-dihydroindol-1-yl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
CID 48633177
2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 162628448
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide
CID 36895358

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one (CID 95610917) is 1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one is C[C@@H]1CN(CCC(=O)N2CCc3ccccc32)CCN1C[C@@H](C)O.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one?
The InChIKey is UNEBTBSYXFNRHT-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-13-20(11-12-21(15)14-16(2)23)9-8-19(24)22-10-7-17-5-3-4-6-18(17)22/h3-6,15-16,23H,7-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one has a molecular weight of 331.46 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 95610917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).