methane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone

C22H24N4O2S — CID 158873719

IUPACmethane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESC.O=C(Cc1cccnc1)N1CCN(C(=O)c2ccc(-c3ccccn3)s2)CC1
InChIInChI=1S/C21H20N4O2S.CH4/c26-20(14-16-4-3-8-22-15-16)24-10-12-25(13-11-24)21(27)19-7-6-18(28-19)17-5-1-2-9-23-17;/h1-9,15H,10-14H2;1H4
InChIKeyJCEABNQEHIVQQD-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.37
Rot. Bonds4

About methane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone

methane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 158873719) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is methane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Namemethane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID158873719
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Namemethane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESC.O=C(Cc1cccnc1)N1CCN(C(=O)c2ccc(-c3ccccn3)s2)CC1
InChIInChI=1S/C21H20N4O2S.CH4/c26-20(14-16-4-3-8-22-15-16)24-10-12-25(13-11-24)21(27)19-7-6-18(28-19)17-5-1-2-9-23-17;/h1-9,15H,10-14H2;1H4
InChIKeyJCEABNQEHIVQQD-UHFFFAOYSA-N
XLogP3.37
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

[4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 59382003
2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 75507878
3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 6737250
3-[[3-[4-(2-pyridin-3-ylacetyl)piperazine-1-carbonyl]phenoxy]methyl]benzoic acid
CID 58347609
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid
CID 62691390
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347886
2-pyridin-3-yl-1-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155833316
2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110818393
1-[4-(4-pentoxybenzoyl)piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347771
2-phenyl-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110808251
1-[4-[3-(cycloheptylmethoxy)benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347532

Frequently Asked Questions

What is the IUPAC name of methane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of methane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 158873719) is methane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for methane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for methane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone is C.O=C(Cc1cccnc1)N1CCN(C(=O)c2ccc(-c3ccccn3)s2)CC1.
What is the InChIKey of methane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is JCEABNQEHIVQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S.CH4/c26-20(14-16-4-3-8-22-15-16)24-10-12-25(13-11-24)21(27)19-7-6-18(28-19)17-5-1-2-9-23-17;/h1-9,15H,10-14H2;1H4.
What are the key properties of methane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone?
methane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 408.53 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 158873719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).