[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone

C21H26N2O2 — CID 86847153

IUPAC[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCC(C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C21H26N2O2/c24-20(17-7-2-1-3-8-17)22-13-10-18(11-14-22)21(25)23-15-12-16-6-4-5-9-19(16)23/h1-2,4-6,9,17-18H,3,7-8,10-15H2
InChIKeyWNWKCYYAUSMLJO-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.17
Rot. Bonds2

About [1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone

[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 86847153) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID86847153
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCC(C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C21H26N2O2/c24-20(17-7-2-1-3-8-17)22-13-10-18(11-14-22)21(25)23-15-12-16-6-4-5-9-19(16)23/h1-2,4-6,9,17-18H,3,7-8,10-15H2
InChIKeyWNWKCYYAUSMLJO-UHFFFAOYSA-N
XLogP3.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 47058306
cyclohex-3-en-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162626054
2-[2-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
CID 138002006
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736613
cyclohex-3-en-1-yl-[(2R,7R)-1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-8,10,12(21),15,17,19-hexaen-5-yl]methanone
CID 22797160
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228
1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
CID 90511233
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
CID 124554087
2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 53087516
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172891749

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone (CID 86847153) is [1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone is O=C(C1CC=CCC1)N1CCC(C(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of [1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is WNWKCYYAUSMLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-20(17-7-2-1-3-8-17)22-13-10-18(11-14-22)21(25)23-15-12-16-6-4-5-9-19(16)23/h1-2,4-6,9,17-18H,3,7-8,10-15H2.
What are the key properties of [1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone?
[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 86847153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).