(4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone

C28H26N2OS — CID 2444171

IUPAC(4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone
SMILESO=C(c1sccc1-c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H26N2OS/c31-28(27-25(16-21-32-27)22-10-4-1-5-11-22)30-19-17-29(18-20-30)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-16,21,26H,17-20H2
InChIKeyVUEXDFWQOJHNDQ-UHFFFAOYSA-N
MW438.60 g/mol
LogP5.96
Rot. Bonds5

About (4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone (PubChem CID 2444171) has the molecular formula C28H26N2OS and a molecular weight of 438.60 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone
PubChem CID2444171
Molecular FormulaC28H26N2OS
Molecular Weight438.60 g/mol
Exact Mass438.18
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone
SMILESO=C(c1sccc1-c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H26N2OS/c31-28(27-25(16-21-32-27)22-10-4-1-5-11-22)30-19-17-29(18-20-30)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-16,21,26H,17-20H2
InChIKeyVUEXDFWQOJHNDQ-UHFFFAOYSA-N
XLogP5.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.60
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

morpholin-4-yl-(3-phenylthiophen-2-yl)methanone
CID 18105345
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
(4-methylpiperidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 78768210
(3-hydroxypyrrolidin-1-yl)-(3-phenylthiophen-2-yl)methanone
CID 62916923
(3-phenylthiophen-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 24513867
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
(3-phenylthiophen-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 134045017
3-phenylthiophene-2-carbonyl chloride
CID 119087278
(4-benzhydrylpiperazin-1-yl)-(2-benzyl-4-methyl-1,3-thiazol-5-yl)methanone
CID 39080626
(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 27087822
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
CID 2813970
(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
CID 9337064

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone (CID 2444171) is (4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone is O=C(c1sccc1-c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone?
The InChIKey is VUEXDFWQOJHNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2OS/c31-28(27-25(16-21-32-27)22-10-4-1-5-11-22)30-19-17-29(18-20-30)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-16,21,26H,17-20H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone has a molecular weight of 438.60 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(3-phenylthiophen-2-yl)methanone is sourced from PubChem (CID 2444171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).