1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one

C20H26N4O — CID 86773557

IUPAC1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCc2ccccc21)N1CCC(c2cnn(C)c2)CC1
InChIInChI=1S/C20H26N4O/c1-15(20(25)24-12-9-17-5-3-4-6-19(17)24)23-10-7-16(8-11-23)18-13-21-22(2)14-18/h3-6,13-16H,7-12H2,1-2H3
InChIKeyRKSVZHGTTKNENZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.58
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one

1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 86773557) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one
PubChem CID86773557
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCc2ccccc21)N1CCC(c2cnn(C)c2)CC1
InChIInChI=1S/C20H26N4O/c1-15(20(25)24-12-9-17-5-3-4-6-19(17)24)23-10-7-16(8-11-23)18-13-21-22(2)14-18/h3-6,13-16H,7-12H2,1-2H3
InChIKeyRKSVZHGTTKNENZ-UHFFFAOYSA-N
XLogP2.58
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906465
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9206680
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 18131575
ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 78786194
2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 86773566
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
CID 1439229
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742627
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 8725314

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one (CID 86773557) is 1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one is CC(C(=O)N1CCc2ccccc21)N1CCC(c2cnn(C)c2)CC1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is RKSVZHGTTKNENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(20(25)24-12-9-17-5-3-4-6-19(17)24)23-10-7-16(8-11-23)18-13-21-22(2)14-18/h3-6,13-16H,7-12H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one?
1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 338.45 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 86773557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).