1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one

C23H27N3O3S — CID 56506103

IUPAC1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
SMILESCc1ccc(C(=O)N2CCN(C(=O)C(c3ccccc3)N3CCCCC3=O)CC2)s1
InChIInChI=1S/C23H27N3O3S/c1-17-10-11-19(30-17)22(28)24-13-15-25(16-14-24)23(29)21(18-7-3-2-4-8-18)26-12-6-5-9-20(26)27/h2-4,7-8,10-11,21H,5-6,9,12-16H2,1H3
InChIKeySXENRABJIHPTMU-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.09
Rot. Bonds4

About 1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one

1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one (PubChem CID 56506103) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
PubChem CID56506103
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
SMILESCc1ccc(C(=O)N2CCN(C(=O)C(c3ccccc3)N3CCCCC3=O)CC2)s1
InChIInChI=1S/C23H27N3O3S/c1-17-10-11-19(30-17)22(28)24-13-15-25(16-14-24)23(29)21(18-7-3-2-4-8-18)26-12-6-5-9-20(26)27/h2-4,7-8,10-11,21H,5-6,9,12-16H2,1H3
InChIKeySXENRABJIHPTMU-UHFFFAOYSA-N
XLogP3.09
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one with MolForge

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Related Compounds

1-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504647
1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one
CID 56577826
(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802
1-[2-(3-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
CID 75420204
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide
CID 56574617
methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate
CID 56540269
1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504681
1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 119038037
1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56514828
1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56514843
(4-benzhydrylpiperazin-4-ium-1-yl)-(5-methylthiophen-2-yl)methanone
CID 6989243

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The IUPAC name of 1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one (CID 56506103) is 1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one is Cc1ccc(C(=O)N2CCN(C(=O)C(c3ccccc3)N3CCCCC3=O)CC2)s1.
What is the InChIKey of 1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The InChIKey is SXENRABJIHPTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-17-10-11-19(30-17)22(28)24-13-15-25(16-14-24)23(29)21(18-7-3-2-4-8-18)26-12-6-5-9-20(26)27/h2-4,7-8,10-11,21H,5-6,9,12-16H2,1H3.
What are the key properties of 1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one has a molecular weight of 425.55 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 56506103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).