(4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone

C25H26N4O2 — CID 66840199

IUPAC(4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C2CN(C(=O)c3ccc[nH]3)C2)CC1
InChIInChI=1S/C25H26N4O2/c30-24(21-10-8-20(9-11-21)19-5-2-1-3-6-19)28-15-13-27(14-16-28)22-17-29(18-22)25(31)23-7-4-12-26-23/h1-12,22,26H,13-18H2
InChIKeyVJCPSWJTOPIFKF-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.96
Rot. Bonds4

About (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone

(4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone (PubChem CID 66840199) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
PubChem CID66840199
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name(4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C2CN(C(=O)c3ccc[nH]3)C2)CC1
InChIInChI=1S/C25H26N4O2/c30-24(21-10-8-20(9-11-21)19-5-2-1-3-6-19)28-15-13-27(14-16-28)22-17-29(18-22)25(31)23-7-4-12-26-23/h1-12,22,26H,13-18H2
InChIKeyVJCPSWJTOPIFKF-UHFFFAOYSA-N
XLogP2.96
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenoxathiin-2-yl-[3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840391
[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625892
phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone
CID 66839871
(4-chlorophenyl)-[3-hydroxy-4-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 68517530
phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840430
(4-fluorophenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808135
[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840390
[1-(6-methyl-3-pyridinyl)indol-5-yl]-[3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 71231955
(4-phenylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 51210665
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
oxalic acid;(4-phenylphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 17369365
[4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840052

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone (CID 66840199) is (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C2CN(C(=O)c3ccc[nH]3)C2)CC1.
What is the InChIKey of (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone?
The InChIKey is VJCPSWJTOPIFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-24(21-10-8-20(9-11-21)19-5-2-1-3-6-19)28-15-13-27(14-16-28)22-17-29(18-22)25(31)23-7-4-12-26-23/h1-12,22,26H,13-18H2.
What are the key properties of (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone?
(4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone has a molecular weight of 414.51 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 66840199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).