2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one

C23H20N2O3S — CID 15991979

IUPAC2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one
SMILESO=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H20N2O3S/c26-22(25-12-10-24(11-13-25)15-16-6-2-1-3-7-16)20-14-18-21(29-20)17-8-4-5-9-19(17)28-23(18)27/h1-9,14H,10-13,15H2
InChIKeyWZQPSMCKOXINIU-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.97
Rot. Bonds3

About 2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one

2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one (PubChem CID 15991979) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one
PubChem CID15991979
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one
SMILESO=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H20N2O3S/c26-22(25-12-10-24(11-13-25)15-16-6-2-1-3-7-16)20-14-18-21(29-20)17-8-4-5-9-19(17)28-23(18)27/h1-9,14H,10-13,15H2
InChIKeyWZQPSMCKOXINIU-UHFFFAOYSA-N
XLogP3.97
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(4-benzylpiperazin-1-yl)-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 2352884
(4-benzylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685910
3-(4-benzylpiperazine-1-carbonyl)-2-phenylchromen-4-one
CID 14304994
3-(4-benzylpiperazine-1-carbonyl)-6-fluoroisochromen-1-one
CID 175651883
(4-benzylpiperazin-1-yl)-(2-ethylthieno[2,3-b]thiophen-5-yl)methanone
CID 1285074
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 9092800
3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 8642896
(4-benzylpiperazin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24513631
(4-benzylpiperazin-1-yl)-[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2022815
(4-benzylpiperazin-1-yl)-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
CID 20868547
4-(4-benzylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 110600792
(4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone
CID 18516124

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one?
The IUPAC name of 2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one (CID 15991979) is 2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one.
What is the SMILES notation for 2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one?
The canonical SMILES for 2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one is O=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one?
The InChIKey is WZQPSMCKOXINIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c26-22(25-12-10-24(11-13-25)15-16-6-2-1-3-7-16)20-14-18-21(29-20)17-8-4-5-9-19(17)28-23(18)27/h1-9,14H,10-13,15H2.
What are the key properties of 2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one?
2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one has a molecular weight of 404.49 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one is sourced from PubChem (CID 15991979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).