[2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C22H29FN4O2 — CID 68681971

IUPAC[2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCCC(F)C4)cc3c2)CC1
InChIInChI=1S/C22H29FN4O2/c1-15(2)25-8-10-26(11-9-25)21(28)16-5-6-19-17(12-16)13-20(24-19)22(29)27-7-3-4-18(23)14-27/h5-6,12-13,15,18,24H,3-4,7-11,14H2,1-2H3
InChIKeyGFUZKLSKBQZODK-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.91
Rot. Bonds3

About [2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 68681971) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is [2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID68681971
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC Name[2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCCC(F)C4)cc3c2)CC1
InChIInChI=1S/C22H29FN4O2/c1-15(2)25-8-10-26(11-9-25)21(28)16-5-6-19-17(12-16)13-20(24-19)22(29)27-7-3-4-18(23)14-27/h5-6,12-13,15,18,24H,3-4,7-11,14H2,1-2H3
InChIKeyGFUZKLSKBQZODK-UHFFFAOYSA-N
XLogP2.91
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68680973
[2-(4-methoxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68683427
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69283170
piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride
CID 11568100
[2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 68680808
(4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone
CID 11538675
N-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide
CID 86615807
(4-cyclopropyl-1,4-diazepan-1-yl)-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-1H-indol-5-yl]methanone
CID 68680952
(2,3-dimethyl-1H-indol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 138041779
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 26315953
[5-(4-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 23582616

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 68681971) is [2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCCC(F)C4)cc3c2)CC1.
What is the InChIKey of [2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is GFUZKLSKBQZODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-15(2)25-8-10-26(11-9-25)21(28)16-5-6-19-17(12-16)13-20(24-19)22(29)27-7-3-4-18(23)14-27/h5-6,12-13,15,18,24H,3-4,7-11,14H2,1-2H3.
What are the key properties of [2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 400.50 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 68681971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).