5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one

C24H29N3O4S — CID 45189370

IUPAC5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CCC3(Cc4cccs4)CCC(=O)N3)CC2)cc1
InChIInChI=1S/C24H29N3O4S/c1-31-19-6-4-18(5-7-19)23(30)27-14-12-26(13-15-27)22(29)9-11-24(10-8-21(28)25-24)17-20-3-2-16-32-20/h2-7,16H,8-15,17H2,1H3,(H,25,28)
InChIKeyJXVLDLBCNSQHPC-UHFFFAOYSA-N
MW455.58 g/mol
LogP2.71
Rot. Bonds7

About 5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one

5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one (PubChem CID 45189370) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one
PubChem CID45189370
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CCC3(Cc4cccs4)CCC(=O)N3)CC2)cc1
InChIInChI=1S/C24H29N3O4S/c1-31-19-6-4-18(5-7-19)23(30)27-14-12-26(13-15-27)22(29)9-11-24(10-8-21(28)25-24)17-20-3-2-16-32-20/h2-7,16H,8-15,17H2,1H3,(H,25,28)
InChIKeyJXVLDLBCNSQHPC-UHFFFAOYSA-N
XLogP2.71
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one with MolForge

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Related Compounds

1-[(3-methoxyphenyl)methyl]-4-[3-[(2R)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanoyl]piperazin-2-one
CID 26322037
(5R)-5-[3-oxo-3-[(3R)-3-phenylmethoxypiperidin-1-yl]propyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 26333819
(5S)-5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 125176594
5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 126466483
5-[(4-fluorophenyl)methyl]-5-[3-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 45181644
(5S)-5-[(4-chlorophenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42449550
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
5-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-oxopropyl]-5-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 45220106
(5S)-5-(furan-2-ylmethyl)-5-[3-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 26326601
5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 74588759
(5R)-5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 26278109
(5R)-5-[(2-fluoro-4-methoxyphenyl)methyl]-5-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42406412

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one (CID 45189370) is 5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one is COc1ccc(C(=O)N2CCN(C(=O)CCC3(Cc4cccs4)CCC(=O)N3)CC2)cc1.
What is the InChIKey of 5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is JXVLDLBCNSQHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-31-19-6-4-18(5-7-19)23(30)27-14-12-26(13-15-27)22(29)9-11-24(10-8-21(28)25-24)17-20-3-2-16-32-20/h2-7,16H,8-15,17H2,1H3,(H,25,28).
What are the key properties of 5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one?
5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 455.58 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]-5-(thiophen-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 45189370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).