(4-fluorophenyl)-[2-(4-propylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

C22H26FN3O2S — CID 53159043

IUPAC(4-fluorophenyl)-[2-(4-propylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCCCN1CCN(C(=O)c2cc3c(s2)CCN(C(=O)c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C22H26FN3O2S/c1-2-8-24-10-12-25(13-11-24)22(28)20-14-17-15-26(9-7-19(17)29-20)21(27)16-3-5-18(23)6-4-16/h3-6,14H,2,7-13,15H2,1H3
InChIKeyTVFULJFILZLMFT-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.25
Rot. Bonds4

About (4-fluorophenyl)-[2-(4-propylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

(4-fluorophenyl)-[2-(4-propylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 53159043) has the molecular formula C22H26FN3O2S and a molecular weight of 415.53 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-(4-propylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-(4-propylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID53159043
Molecular FormulaC22H26FN3O2S
Molecular Weight415.53 g/mol
Exact Mass415.17
IUPAC Name(4-fluorophenyl)-[2-(4-propylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCCCN1CCN(C(=O)c2cc3c(s2)CCN(C(=O)c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C22H26FN3O2S/c1-2-8-24-10-12-25(13-11-24)22(28)20-14-17-15-26(9-7-19(17)29-20)21(27)16-3-5-18(23)6-4-16/h3-6,14H,2,7-13,15H2,1H3
InChIKeyTVFULJFILZLMFT-UHFFFAOYSA-N
XLogP3.25
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(piperidin-1-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 15697378
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
(5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6466553
[4-(Phenylsulfonyl)piperazin-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2225531
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
5-(cyclohexanecarbonyl)-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 58157631
[4-(1-Benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 1131749
2,2-Diphenyl-1-[4-(thiophene-2-carbonyl)-piperazin-1-yl]-ethanone
CID 1147951
1-(2-Phenylethyl)-4-(2-thienylcarbonyl)piperazine
CID 1246520
4,5,6,7-Tetrahydro-1-benzothiophen-2-yl-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 2467566
N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2570016
{4-[(4-Methylphenyl)sulfonyl]piperazin-1-yl}(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2648555

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-(4-propylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-(4-propylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 53159043) is (4-fluorophenyl)-[2-(4-propylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-(4-propylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-(4-propylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is CCCN1CCN(C(=O)c2cc3c(s2)CCN(C(=O)c2ccc(F)cc2)C3)CC1.
What is the InChIKey of (4-fluorophenyl)-[2-(4-propylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is TVFULJFILZLMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2S/c1-2-8-24-10-12-25(13-11-24)22(28)20-14-17-15-26(9-7-19(17)29-20)21(27)16-3-5-18(23)6-4-16/h3-6,14H,2,7-13,15H2,1H3.
What are the key properties of (4-fluorophenyl)-[2-(4-propylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
(4-fluorophenyl)-[2-(4-propylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 415.53 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-(4-propylpiperazine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 53159043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).