3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C19H24N4O — CID 110106186

IUPAC3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCc2ccccc21)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C19H24N4O/c24-19(10-14-22-13-9-15-5-1-2-6-17(15)22)23-12-4-3-7-18(23)16-8-11-20-21-16/h1-2,5-6,8,11,18H,3-4,7,9-10,12-14H2,(H,20,21)
InChIKeyCRXLDCUDAMBQOG-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.92
Rot. Bonds4

About 3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 110106186) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID110106186
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCc2ccccc21)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C19H24N4O/c24-19(10-14-22-13-9-15-5-1-2-6-17(15)22)23-12-4-3-7-18(23)16-8-11-20-21-16/h1-2,5-6,8,11,18H,3-4,7,9-10,12-14H2,(H,20,21)
InChIKeyCRXLDCUDAMBQOG-UHFFFAOYSA-N
XLogP2.92
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydroindol-1-yl)-1-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]propan-1-one
CID 124960482
3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125002954
1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175652588
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 110106183
1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95760420
6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115141
(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 123681411
N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 110247073
tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 75817647
3,3-dimethyl-1-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 95821595
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124966203

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 110106186) is 3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is O=C(CCN1CCc2ccccc21)N1CCCCC1c1ccn[nH]1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is CRXLDCUDAMBQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(10-14-22-13-9-15-5-1-2-6-17(15)22)23-12-4-3-7-18(23)16-8-11-20-21-16/h1-2,5-6,8,11,18H,3-4,7,9-10,12-14H2,(H,20,21).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 324.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110106186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).