[4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone

C26H27N3O3 — CID 66840052

IUPAC[4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
SMILESCc1oc(-c2ccccc2)cc1C(=O)N1CC(N2CCN(C(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C26H27N3O3/c1-19-23(16-24(32-19)20-8-4-2-5-9-20)26(31)29-17-22(18-29)27-12-14-28(15-13-27)25(30)21-10-6-3-7-11-21/h2-11,16,22H,12-15,17-18H2,1H3
InChIKeyMIPJDMZZCTXHBK-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.54
Rot. Bonds4

About [4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone

[4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 66840052) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is [4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
PubChem CID66840052
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name[4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
SMILESCc1oc(-c2ccccc2)cc1C(=O)N1CC(N2CCN(C(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C26H27N3O3/c1-19-23(16-24(32-19)20-8-4-2-5-9-20)26(31)29-17-22(18-29)27-12-14-28(15-13-27)25(30)21-10-6-3-7-11-21/h2-11,16,22H,12-15,17-18H2,1H3
InChIKeyMIPJDMZZCTXHBK-UHFFFAOYSA-N
XLogP3.54
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[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
phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone
CID 66839871
phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840430
(4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840199
[4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 147395489
[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 66201170
1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84582046
[(1S,5R)-6-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-phenylmethanone
CID 72867108
1-[4-[1-(3-chlorobenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579152
phenyl-[4-[1-[3-phenyl-6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-yl]piperazin-1-yl]methanone
CID 66840782
[4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840299

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone (CID 66840052) is [4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone is Cc1oc(-c2ccccc2)cc1C(=O)N1CC(N2CCN(C(=O)c3ccccc3)CC2)C1.
What is the InChIKey of [4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is MIPJDMZZCTXHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19-23(16-24(32-19)20-8-4-2-5-9-20)26(31)29-17-22(18-29)27-12-14-28(15-13-27)25(30)21-10-6-3-7-11-21/h2-11,16,22H,12-15,17-18H2,1H3.
What are the key properties of [4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
[4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 429.52 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 66840052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).