[4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone

C30H29FN4O2 — CID 71232116

IUPAC[4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
SMILESCc1cn(-c2cccc(F)c2)c2ccc(C(=O)N3CC(N4CCN(C(=O)c5ccccc5)CC4)C3)cc12
InChIInChI=1S/C30H29FN4O2/c1-21-18-35(25-9-5-8-24(31)17-25)28-11-10-23(16-27(21)28)30(37)34-19-26(20-34)32-12-14-33(15-13-32)29(36)22-6-3-2-4-7-22/h2-11,16-18,26H,12-15,19-20H2,1H3
InChIKeyAYUVXKILWHOSHM-UHFFFAOYSA-N
MW496.59 g/mol
LogP4.36
Rot. Bonds4

About [4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone

[4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 71232116) has the molecular formula C30H29FN4O2 and a molecular weight of 496.59 g/mol. Its IUPAC name is [4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
PubChem CID71232116
Molecular FormulaC30H29FN4O2
Molecular Weight496.59 g/mol
Exact Mass496.23
IUPAC Name[4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
SMILESCc1cn(-c2cccc(F)c2)c2ccc(C(=O)N3CC(N4CCN(C(=O)c5ccccc5)CC4)C3)cc12
InChIInChI=1S/C30H29FN4O2/c1-21-18-35(25-9-5-8-24(31)17-25)28-11-10-23(16-27(21)28)30(37)34-19-26(20-34)32-12-14-33(15-13-32)29(36)22-6-3-2-4-7-22/h2-11,16-18,26H,12-15,19-20H2,1H3
InChIKeyAYUVXKILWHOSHM-UHFFFAOYSA-N
XLogP4.36
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone with MolForge

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Related Compounds

[4-(3-methylindol-1-yl)phenyl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840650
phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840026
[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625892
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
phenyl-[4-[1-(1-pyrimidin-2-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840009
4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile
CID 66840110
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840390
[4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840299
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone
CID 66839871
[4-[1-[1-(5-chloro-2-pyridinyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66771958

Frequently Asked Questions

What is the IUPAC name of [4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone (CID 71232116) is [4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone is Cc1cn(-c2cccc(F)c2)c2ccc(C(=O)N3CC(N4CCN(C(=O)c5ccccc5)CC4)C3)cc12.
What is the InChIKey of [4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is AYUVXKILWHOSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN4O2/c1-21-18-35(25-9-5-8-24(31)17-25)28-11-10-23(16-27(21)28)30(37)34-19-26(20-34)32-12-14-33(15-13-32)29(36)22-6-3-2-4-7-22/h2-11,16-18,26H,12-15,19-20H2,1H3.
What are the key properties of [4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
[4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 496.59 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[1-(3-fluorophenyl)-3-methylindole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 71232116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).