5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide

C16H22N2O3S — CID 118790643

IUPAC5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)s1
InChIInChI=1S/C16H22N2O3S/c1-11(19)14-5-6-15(22-14)16(20)17-12-9-21-10-13(12)18-7-3-2-4-8-18/h5-6,12-13H,2-4,7-10H2,1H3,(H,17,20)/t12-,13-/m0/s1
InChIKeyYJJWYZYKVFVUNL-STQMWFEESA-N
MW322.43 g/mol
LogP1.93
Rot. Bonds4

About 5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide

5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide (PubChem CID 118790643) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide
PubChem CID118790643
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)s1
InChIInChI=1S/C16H22N2O3S/c1-11(19)14-5-6-15(22-14)16(20)17-12-9-21-10-13(12)18-7-3-2-4-8-18/h5-6,12-13H,2-4,7-10H2,1H3,(H,17,20)/t12-,13-/m0/s1
InChIKeyYJJWYZYKVFVUNL-STQMWFEESA-N
XLogP1.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

5-acetyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]thiophene-2-carboxamide
CID 91789169
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 122556576
6-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-3-carboxamide
CID 133260544
5-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122559298
1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-2-carboxamide
CID 91841039
2-methoxy-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]pyridine-3-carboxamide
CID 133267819
1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-4-carboxamide
CID 118788686
3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid
CID 118772644
2,4-dimethyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-5-carboxamide
CID 122565102
2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 118781498
6-cyano-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyridine-3-carboxamide
CID 91843333
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide
CID 122560557

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide (CID 118790643) is 5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)s1.
What is the InChIKey of 5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide?
The InChIKey is YJJWYZYKVFVUNL-STQMWFEESA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-11(19)14-5-6-15(22-14)16(20)17-12-9-21-10-13(12)18-7-3-2-4-8-18/h5-6,12-13H,2-4,7-10H2,1H3,(H,17,20)/t12-,13-/m0/s1.
What are the key properties of 5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide?
5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 118790643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).