azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone

C15H21N3O — CID 69365668

IUPACazetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone
SMILESO=C(c1ccc(N2CCCNCC2)cc1)N1CCC1
InChIInChI=1S/C15H21N3O/c19-15(18-10-2-11-18)13-3-5-14(6-4-13)17-9-1-7-16-8-12-17/h3-6,16H,1-2,7-12H2
InChIKeyQLEJZFNVJDLFRR-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.33
Rot. Bonds2

About azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone

azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone (PubChem CID 69365668) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone
PubChem CID69365668
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Nameazetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone
SMILESO=C(c1ccc(N2CCCNCC2)cc1)N1CCC1
InChIInChI=1S/C15H21N3O/c19-15(18-10-2-11-18)13-3-5-14(6-4-13)17-9-1-7-16-8-12-17/h3-6,16H,1-2,7-12H2
InChIKeyQLEJZFNVJDLFRR-UHFFFAOYSA-N
XLogP1.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
4-(1,4-diazepan-1-yl)benzamide;hydrochloride
CID 68552362
(3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone
CID 28748938
azepan-1-yl-[4-(3-piperazin-1-ylphenyl)phenyl]methanone;hydrochloride
CID 154909425
ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
1,4-diazepan-1-yl-(4-phenoxyphenyl)methanone;hydrochloride
CID 119414642
(Z)-3-[4-(4-acetylphenyl)-1,4-diazepan-1-yl]-2-cyanobut-2-enethioamide;1-[4-(1,4-diazepan-1-yl)phenyl]ethanone
CID 158963666
4-(1,4-diazepan-1-yl)-2-methylbenzoic acid
CID 115760457
1,4-diazepan-1-yl-(4-ethoxyphenyl)methanone;hydrochloride
CID 119417655
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
ethane;1-(4-fluorophenyl)-1,4-diazepane
CID 168950071
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone?
The IUPAC name of azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone (CID 69365668) is azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone.
What is the SMILES notation for azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone?
The canonical SMILES for azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone is O=C(c1ccc(N2CCCNCC2)cc1)N1CCC1.
What is the InChIKey of azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone?
The InChIKey is QLEJZFNVJDLFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(18-10-2-11-18)13-3-5-14(6-4-13)17-9-1-7-16-8-12-17/h3-6,16H,1-2,7-12H2.
What are the key properties of azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone?
azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone has a molecular weight of 259.35 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[4-(1,4-diazepan-1-yl)phenyl]methanone is sourced from PubChem (CID 69365668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).