2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone

C22H25FN2O — CID 70834721

IUPAC2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone
SMILESO=C(c1cccc2c1NCC2)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O/c23-19-6-4-16(5-7-19)9-13-25-14-10-18(11-15-25)22(26)20-3-1-2-17-8-12-24-21(17)20/h1-7,18,24H,8-15H2
InChIKeyZVKXSNWZHOIIEW-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.93
Rot. Bonds5

About 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone

2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone (PubChem CID 70834721) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone
PubChem CID70834721
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone
SMILESO=C(c1cccc2c1NCC2)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O/c23-19-6-4-16(5-7-19)9-13-25-14-10-18(11-15-25)22(26)20-3-1-2-17-8-12-24-21(17)20/h1-7,18,24H,8-15H2
InChIKeyZVKXSNWZHOIIEW-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 142039578
[3-(2-(18F)fluoroethoxy)-2-methoxyphenyl]-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone
CID 42629841
3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate
CID 54110968
[3-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-2-methoxyphenoxy] hydrogen sulfite
CID 21305587
[(3R,4S)-4-cyclopropyl-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-methylpyrrolidin-2-yl]-(2,3-dihydro-1H-indol-7-yl)methanone
CID 86757901
7-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 23377479
[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110290644
1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone
CID 10360079
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556
2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-ylidene]acetic acid
CID 82303203
(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
CID 11016205
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 84589032

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone (CID 70834721) is 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone is O=C(c1cccc2c1NCC2)C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone?
The InChIKey is ZVKXSNWZHOIIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-19-6-4-16(5-7-19)9-13-25-14-10-18(11-15-25)22(26)20-3-1-2-17-8-12-24-21(17)20/h1-7,18,24H,8-15H2.
What are the key properties of 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone?
2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone has a molecular weight of 352.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone is sourced from PubChem (CID 70834721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).