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

C19H24N4O — CID 95760420

IUPAC1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCC[C@@H](c2ccn[nH]2)C1)N1CCc2ccccc21
InChIInChI=1S/C19H24N4O/c24-19(23-13-8-15-4-1-2-6-18(15)23)9-12-22-11-3-5-16(14-22)17-7-10-20-21-17/h1-2,4,6-7,10,16H,3,5,8-9,11-14H2,(H,20,21)/t16-/m1/s1
InChIKeyGTDBFINJFYHYCY-MRXNPFEDSA-N
MW324.43 g/mol
LogP2.57
Rot. Bonds4

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

1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 95760420) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID95760420
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCC[C@@H](c2ccn[nH]2)C1)N1CCc2ccccc21
InChIInChI=1S/C19H24N4O/c24-19(23-13-8-15-4-1-2-6-18(15)23)9-12-22-11-3-5-16(14-22)17-7-10-20-21-17/h1-2,4,6-7,10,16H,3,5,8-9,11-14H2,(H,20,21)/t16-/m1/s1
InChIKeyGTDBFINJFYHYCY-MRXNPFEDSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 129402938
1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]pyrrolidine-3-carboxylic acid
CID 119904122
6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115141
1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110020014
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665056
N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760417
3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110106186
3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665042
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine
CID 124758004
2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 129426223
1-phenyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butane-1,4-dione
CID 97080910

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 95760420) is 1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is O=C(CCN1CCC[C@@H](c2ccn[nH]2)C1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is GTDBFINJFYHYCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(23-13-8-15-4-1-2-6-18(15)23)9-12-22-11-3-5-16(14-22)17-7-10-20-21-17/h1-2,4,6-7,10,16H,3,5,8-9,11-14H2,(H,20,21)/t16-/m1/s1.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 324.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95760420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).