(4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone

C22H20N2O2S — CID 7411867

IUPAC(4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESO=C(c1cc2c(s1)-c1ccccc1OC2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H20N2O2S/c25-22(24-12-10-23(11-13-24)17-6-2-1-3-7-17)20-14-16-15-26-19-9-5-4-8-18(19)21(16)27-20/h1-9,14H,10-13,15H2
InChIKeyWTQUNKNFHUZXKQ-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.27
Rot. Bonds2

About (4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone

(4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone (PubChem CID 7411867) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
PubChem CID7411867
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name(4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
SMILESO=C(c1cc2c(s1)-c1ccccc1OC2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H20N2O2S/c25-22(24-12-10-23(11-13-24)17-6-2-1-3-7-17)20-14-16-15-26-19-9-5-4-8-18(19)21(16)27-20/h1-9,14H,10-13,15H2
InChIKeyWTQUNKNFHUZXKQ-UHFFFAOYSA-N
XLogP4.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone (CID 7411867) is (4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone is O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone?
The InChIKey is WTQUNKNFHUZXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c25-22(24-12-10-23(11-13-24)17-6-2-1-3-7-17)20-14-16-15-26-19-9-5-4-8-18(19)21(16)27-20/h1-9,14H,10-13,15H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone?
(4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone has a molecular weight of 376.48 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone is sourced from PubChem (CID 7411867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).