4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile

C30H27N5O2 — CID 66840110

IUPAC4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile
SMILESN#Cc1ccc(-n2ccc3cc(C(=O)N4CC(N5CCN(C(=O)c6ccccc6)CC5)C4)ccc32)cc1
InChIInChI=1S/C30H27N5O2/c31-19-22-6-9-26(10-7-22)35-13-12-24-18-25(8-11-28(24)35)30(37)34-20-27(21-34)32-14-16-33(17-15-32)29(36)23-4-2-1-3-5-23/h1-13,18,27H,14-17,20-21H2
InChIKeyZAJROWDPLIOBFD-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.78
Rot. Bonds4

About 4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile

4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile (PubChem CID 66840110) has the molecular formula C30H27N5O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile
PubChem CID66840110
Molecular FormulaC30H27N5O2
Molecular Weight489.58 g/mol
Exact Mass489.22
IUPAC Name4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile
SMILESN#Cc1ccc(-n2ccc3cc(C(=O)N4CC(N5CCN(C(=O)c6ccccc6)CC5)C4)ccc32)cc1
InChIInChI=1S/C30H27N5O2/c31-19-22-6-9-26(10-7-22)35-13-12-24-18-25(8-11-28(24)35)30(37)34-20-27(21-34)32-14-16-33(17-15-32)29(36)23-4-2-1-3-5-23/h1-13,18,27H,14-17,20-21H2
InChIKeyZAJROWDPLIOBFD-UHFFFAOYSA-N
XLogP3.78
TPSA72.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840026
phenyl-[4-[1-(1-pyrimidin-2-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840009
[4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840299
[4-[1-[1-(5-chloro-2-pyridinyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66771958
1-benzoyl-4-[1-[1-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-2-one
CID 56947954
[1-(6-methyl-3-pyridinyl)indol-5-yl]-[3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 71231955
4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-pyrimidin-2-ylpiperazin-2-one
CID 66823546
[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625892
[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840390
4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile
CID 66203293
(1-pyrimidin-2-ylindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66839937
phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840430

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile?
The IUPAC name of 4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile (CID 66840110) is 4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile.
What is the SMILES notation for 4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile?
The canonical SMILES for 4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile is N#Cc1ccc(-n2ccc3cc(C(=O)N4CC(N5CCN(C(=O)c6ccccc6)CC5)C4)ccc32)cc1.
What is the InChIKey of 4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile?
The InChIKey is ZAJROWDPLIOBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2/c31-19-22-6-9-26(10-7-22)35-13-12-24-18-25(8-11-28(24)35)30(37)34-20-27(21-34)32-14-16-33(17-15-32)29(36)23-4-2-1-3-5-23/h1-13,18,27H,14-17,20-21H2.
What are the key properties of 4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile?
4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile has a molecular weight of 489.58 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile is sourced from PubChem (CID 66840110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).