(4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone

C28H30N2O2 — CID 2738415

IUPAC(4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone
SMILESCC1(C)Cc2cccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2O1
InChIInChI=1S/C28H30N2O2/c1-28(2)20-23-14-9-15-24(26(23)32-28)27(31)30-18-16-29(17-19-30)25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,25H,16-20H2,1-2H3
InChIKeyBGAGKZRPSDCCIT-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.95
Rot. Bonds4

About (4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone (PubChem CID 2738415) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone
PubChem CID2738415
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone
SMILESCC1(C)Cc2cccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2O1
InChIInChI=1S/C28H30N2O2/c1-28(2)20-23-14-9-15-24(26(23)32-28)27(31)30-18-16-29(17-19-30)25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,25H,16-20H2,1-2H3
InChIKeyBGAGKZRPSDCCIT-UHFFFAOYSA-N
XLogP4.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone
CID 2738416
(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 1070537
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 112760338
[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 92767686
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 92769177
(2-fluorophenyl)-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100028
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 4948035
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
2-[4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]piperazin-1-yl]-2-phenylacetonitrile
CID 112800709
2-(4-benzhydrylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 53270719
(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 1083374

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone (CID 2738415) is (4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone is CC1(C)Cc2cccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2O1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone?
The InChIKey is BGAGKZRPSDCCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-28(2)20-23-14-9-15-24(26(23)32-28)27(31)30-18-16-29(17-19-30)25(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,25H,16-20H2,1-2H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone has a molecular weight of 426.56 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 2738415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).