4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one

C14H19N3O2S — CID 78982831

IUPAC4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCN(Cc3cccs3)CC2)CN1
InChIInChI=1S/C14H19N3O2S/c18-13-8-11(9-15-13)14(19)17-5-3-16(4-6-17)10-12-2-1-7-20-12/h1-2,7,11H,3-6,8-10H2,(H,15,18)
InChIKeySFODMYFYGLECEI-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.53
Rot. Bonds3

About 4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one

4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 78982831) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID78982831
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCN(Cc3cccs3)CC2)CN1
InChIInChI=1S/C14H19N3O2S/c18-13-8-11(9-15-13)14(19)17-5-3-16(4-6-17)10-12-2-1-7-20-12/h1-2,7,11H,3-6,8-10H2,(H,15,18)
InChIKeySFODMYFYGLECEI-UHFFFAOYSA-N
XLogP0.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyrrolidin-3-yl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 63006136
3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 156608361
(2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78801873
2,2-dimethyl-1-[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 78802784
(2-hydroxycyclopentyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110015109
2-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60949286
piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60937029
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
[(2R)-pyrrolidin-2-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 104900969
(4-methylpiperidin-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 114423308
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CID 110709201
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869397

Frequently Asked Questions

What is the IUPAC name of 4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 78982831) is 4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C1CC(C(=O)N2CCN(Cc3cccs3)CC2)CN1.
What is the InChIKey of 4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is SFODMYFYGLECEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-13-8-11(9-15-13)14(19)17-5-3-16(4-6-17)10-12-2-1-7-20-12/h1-2,7,11H,3-6,8-10H2,(H,15,18).
What are the key properties of 4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 293.39 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 78982831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).