1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone

C15H20N2O3S — CID 2971550

IUPAC1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C15H20N2O3S/c18-14(11-12-3-2-10-21-12)16-5-7-17(8-6-16)15(19)13-4-1-9-20-13/h2-3,10,13H,1,4-9,11H2
InChIKeyRPYVCEOGGKIFAO-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.14
Rot. Bonds3

About 1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 2971550) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID2971550
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C15H20N2O3S/c18-14(11-12-3-2-10-21-12)16-5-7-17(8-6-16)15(19)13-4-1-9-20-13/h2-3,10,13H,1,4-9,11H2
InChIKeyRPYVCEOGGKIFAO-UHFFFAOYSA-N
XLogP1.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamide, N-tetrahydrofurfuryl-2-(2-thienyl)-
CID 531782
Morpholine, 4-(2-thienylacetyl)-
CID 531781
N-[2-(morpholin-4-yl)ethyl]-2-(thiophen-2-yl)acetamide
CID 670829
Oxolan-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 2970763
N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-N-(tetrahydro-2-furanylmethyl)-2-(2-thienyl)acetamide
CID 45202291
1-[(4aR,7aS)-4-propan-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-thiophen-2-ylethanone
CID 97402775
1-[(3S,3aR,7aR)-3-[(dimethylamino)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97459922
1-[(4aR,7aS)-4-(oxolan-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-thiophen-2-ylethanone
CID 127023866
[4-[4-(Benzenesulfonyl)thiophen-2-yl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 2815640
1-[4-(Oxolane-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 2970230
1-(1-Oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(thiophen-2-yl)ethanone
CID 56764618
N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 842563

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone (CID 2971550) is 1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is RPYVCEOGGKIFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-14(11-12-3-2-10-21-12)16-5-7-17(8-6-16)15(19)13-4-1-9-20-13/h2-3,10,13H,1,4-9,11H2.
What are the key properties of 1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 308.40 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 2971550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).