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

C18H22N4O — CID 129402938

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@@H](c2ccn[nH]2)C1)N1CCc2ccccc21
InChIInChI=1S/C18H22N4O/c23-18(22-11-8-14-4-1-2-6-17(14)22)13-21-10-3-5-15(12-21)16-7-9-19-20-16/h1-2,4,6-7,9,15H,3,5,8,10-13H2,(H,19,20)/t15-/m1/s1
InChIKeyKVKVHYPPTSZOCO-OAHLLOKOSA-N
MW310.40 g/mol
LogP2.18
Rot. Bonds3

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

1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 129402938) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID129402938
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@@H](c2ccn[nH]2)C1)N1CCc2ccccc21
InChIInChI=1S/C18H22N4O/c23-18(22-11-8-14-4-1-2-6-17(14)22)13-21-10-3-5-15(12-21)16-7-9-19-20-16/h1-2,4,6-7,9,15H,3,5,8,10-13H2,(H,19,20)/t15-/m1/s1
InChIKeyKVKVHYPPTSZOCO-OAHLLOKOSA-N
XLogP2.18
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95760420
2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
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1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 61204032
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60645184
1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 98766920
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
1-(2,3-dihydroindol-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 55064419
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119905160
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119933655
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 51104449
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
CID 95761963
2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 163354238

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 129402938) is 1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is O=C(CN1CCC[C@@H](c2ccn[nH]2)C1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is KVKVHYPPTSZOCO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(22-11-8-14-4-1-2-6-17(14)22)13-21-10-3-5-15(12-21)16-7-9-19-20-16/h1-2,4,6-7,9,15H,3,5,8,10-13H2,(H,19,20)/t15-/m1/s1.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 310.40 g/mol, XLogP of 2.18, 3 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)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 129402938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).