2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide

C18H27N3O3S — CID 95783517

IUPAC2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)c(C)c1C
InChIInChI=1S/C18H27N3O3S/c1-12-13(2)17(25-14(12)3)19-16(22)11-20-6-8-21(9-7-20)18(23)15-5-4-10-24-15/h15H,4-11H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyGGCNNELDXQOAMK-OAHLLOKOSA-N
MW365.50 g/mol
LogP1.94
Rot. Bonds4

About 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide

2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide (PubChem CID 95783517) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
PubChem CID95783517
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)c(C)c1C
InChIInChI=1S/C18H27N3O3S/c1-12-13(2)17(25-14(12)3)19-16(22)11-20-6-8-21(9-7-20)18(23)15-5-4-10-24-15/h15H,4-11H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyGGCNNELDXQOAMK-OAHLLOKOSA-N
XLogP1.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide with MolForge

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 86911173
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 22197278
N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464827
2-[[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9209065
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 95136668
ethyl 4-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzoate
CID 6467490
methyl 6-methyl-2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 22197231
N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 27525282
N-(4-bromophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464785
N-(3-acetylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 22197270
N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 78787879
2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide
CID 22197271

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide (CID 95783517) is 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide is Cc1sc(NC(=O)CN2CCN(C(=O)[C@H]3CCCO3)CC2)c(C)c1C.
What is the InChIKey of 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The InChIKey is GGCNNELDXQOAMK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-12-13(2)17(25-14(12)3)19-16(22)11-20-6-8-21(9-7-20)18(23)15-5-4-10-24-15/h15H,4-11H2,1-3H3,(H,19,22)/t15-/m1/s1.
What are the key properties of 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide has a molecular weight of 365.50 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 95783517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).