(4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone

C25H22ClN3O2S — CID 18516124

IUPAC(4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone
SMILESO=C(c1cc2c(Oc3ccc(Cl)cc3)cncc2s1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H22ClN3O2S/c26-19-6-8-20(9-7-19)31-22-15-27-16-24-21(22)14-23(32-24)25(30)29-12-10-28(11-13-29)17-18-4-2-1-3-5-18/h1-9,14-16H,10-13,17H2
InChIKeyUOCDIBAIKIUEPN-UHFFFAOYSA-N
MW463.99 g/mol
LogP5.70
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone

(4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone (PubChem CID 18516124) has the molecular formula C25H22ClN3O2S and a molecular weight of 463.99 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone
PubChem CID18516124
Molecular FormulaC25H22ClN3O2S
Molecular Weight463.99 g/mol
Exact Mass463.11
IUPAC Name(4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone
SMILESO=C(c1cc2c(Oc3ccc(Cl)cc3)cncc2s1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H22ClN3O2S/c26-19-6-8-20(9-7-19)31-22-15-27-16-24-21(22)14-23(32-24)25(30)29-12-10-28(11-13-29)17-18-4-2-1-3-5-18/h1-9,14-16H,10-13,17H2
InChIKeyUOCDIBAIKIUEPN-UHFFFAOYSA-N
XLogP5.70
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.99
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperazin-1-yl)-thieno[3,2-b][1]benzothiol-2-ylmethanone
CID 2352884
1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]-2-phenylethanone
CID 59140034
(4-benzylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685910
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
2-(4-benzylpiperazine-1-carbonyl)thieno[3,2-c]chromen-4-one
CID 15991979
(5-bromothiophen-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 26756626
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
[3-[(4-chlorophenoxy)methyl]phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572606
(4-benzylpiperazin-1-yl)-[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2022815
(4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone
CID 9338329
(4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone (CID 18516124) is (4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone is O=C(c1cc2c(Oc3ccc(Cl)cc3)cncc2s1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone?
The InChIKey is UOCDIBAIKIUEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2S/c26-19-6-8-20(9-7-19)31-22-15-27-16-24-21(22)14-23(32-24)25(30)29-12-10-28(11-13-29)17-18-4-2-1-3-5-18/h1-9,14-16H,10-13,17H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone?
(4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone has a molecular weight of 463.99 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[4-(4-chlorophenoxy)thieno[2,3-c]pyridin-2-yl]methanone is sourced from PubChem (CID 18516124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).