1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone

C24H25N3O3S — CID 56521653

IUPAC1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)N1CCN(C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C24H25N3O3S/c1-2-30-20-17-21(18-8-4-3-5-9-18)31-23(20)24(29)27-14-12-26(13-15-27)22(28)16-19-10-6-7-11-25-19/h3-11,17H,2,12-16H2,1H3
InChIKeyYDPRDLZFXFECPW-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.74
Rot. Bonds6

About 1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone

1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 56521653) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
PubChem CID56521653
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)N1CCN(C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C24H25N3O3S/c1-2-30-20-17-21(18-8-4-3-5-9-18)31-23(20)24(29)27-14-12-26(13-15-27)22(28)16-19-10-6-7-11-25-19/h3-11,17H,2,12-16H2,1H3
InChIKeyYDPRDLZFXFECPW-UHFFFAOYSA-N
XLogP3.74
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4R)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 97062903
(3-ethoxy-5-phenylthiophen-2-yl)-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 97062901
3,9-diazabicyclo[4.2.1]nonan-3-yl-(3-ethoxy-5-phenylthiophen-2-yl)methanone;hydrochloride
CID 119635171
N-[[1-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 52845992
3-ethoxy-5-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 55930778
1-[4-(2-phenoxybenzoyl)-1,4-diazepan-1-yl]-2-pyridin-2-ylethanone
CID 47084885
1-[4-(5-chloro-2-propan-2-yloxybenzoyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56520625
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 56522168
1-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-2-ylethanone
CID 51134010
1-[4-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56520501
3-(2-methoxyphenyl)-2-phenyl-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]prop-2-en-1-one
CID 72692928

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone (CID 56521653) is 1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone is CCOc1cc(-c2ccccc2)sc1C(=O)N1CCN(C(=O)Cc2ccccn2)CC1.
What is the InChIKey of 1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is YDPRDLZFXFECPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-2-30-20-17-21(18-8-4-3-5-9-18)31-23(20)24(29)27-14-12-26(13-15-27)22(28)16-19-10-6-7-11-25-19/h3-11,17H,2,12-16H2,1H3.
What are the key properties of 1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 435.55 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethoxy-5-phenylthiophene-2-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 56521653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).