1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)piperazin-2-one

C14H18N2O2S — CID 110720782

IUPAC1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)piperazin-2-one
SMILESO=C(CCc1cccs1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C14H18N2O2S/c17-13(6-5-12-2-1-9-19-12)15-7-8-16(11-3-4-11)14(18)10-15/h1-2,9,11H,3-8,10H2
InChIKeyOVSCNFWYHHCEQV-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.51
Rot. Bonds4

About 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)piperazin-2-one

1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)piperazin-2-one (PubChem CID 110720782) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)piperazin-2-one
PubChem CID110720782
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)piperazin-2-one
SMILESO=C(CCc1cccs1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C14H18N2O2S/c17-13(6-5-12-2-1-9-19-12)15-7-8-16(11-3-4-11)14(18)10-15/h1-2,9,11H,3-8,10H2
InChIKeyOVSCNFWYHHCEQV-UHFFFAOYSA-N
XLogP1.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710696
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
1-phenyl-4-(3-thiophen-2-ylpropanoyl)-1,4-diazepan-2-one
CID 110873874
1-(4-pyrrol-1-ylpiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 110721301
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110868327
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78790937
4-(3-thiophen-2-ylpropanoyl)-1,4-diazepan-2-one
CID 62897426
1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95758954
1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)-3H-quinoxalin-2-one
CID 110713610
1-[(3R)-3-aminopyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one;hydrochloride
CID 119410848
1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95751398
1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 110740009

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)piperazin-2-one?
The IUPAC name of 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)piperazin-2-one (CID 110720782) is 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)piperazin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)piperazin-2-one?
The canonical SMILES for 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)piperazin-2-one is O=C(CCc1cccs1)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)piperazin-2-one?
The InChIKey is OVSCNFWYHHCEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-13(6-5-12-2-1-9-19-12)15-7-8-16(11-3-4-11)14(18)10-15/h1-2,9,11H,3-8,10H2.
What are the key properties of 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)piperazin-2-one?
1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)piperazin-2-one has a molecular weight of 278.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(3-thiophen-2-ylpropanoyl)piperazin-2-one is sourced from PubChem (CID 110720782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).