4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide

C16H24N2O3S — CID 111422463

IUPAC4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)NCC(O)CN2CCC(C)CC2)c1
InChIInChI=1S/C16H24N2O3S/c1-11-3-5-18(6-4-11)9-14(20)8-17-16(21)15-7-13(10-22-15)12(2)19/h7,10-11,14,20H,3-6,8-9H2,1-2H3,(H,17,21)
InChIKeyGUQRHAUWGJSKIT-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.77
Rot. Bonds6

About 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide

4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide (PubChem CID 111422463) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
PubChem CID111422463
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
SMILESCC(=O)c1csc(C(=O)NCC(O)CN2CCC(C)CC2)c1
InChIInChI=1S/C16H24N2O3S/c1-11-3-5-18(6-4-11)9-14(20)8-17-16(21)15-7-13(10-22-15)12(2)19/h7,10-11,14,20H,3-6,8-9H2,1-2H3,(H,17,21)
InChIKeyGUQRHAUWGJSKIT-UHFFFAOYSA-N
XLogP1.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
CID 111112713
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2,5-thiadiazole-3-carboxamide
CID 111422524
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 95304469
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-nitrobenzamide
CID 111112812
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111422396
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 111422512
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(5-methylthiophen-2-yl)acetamide
CID 111422497
3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 111112860
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methylpyridine-2-carboxamide
CID 111112729

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide (CID 111422463) is 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide is CC(=O)c1csc(C(=O)NCC(O)CN2CCC(C)CC2)c1.
What is the InChIKey of 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide?
The InChIKey is GUQRHAUWGJSKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11-3-5-18(6-4-11)9-14(20)8-17-16(21)15-7-13(10-22-15)12(2)19/h7,10-11,14,20H,3-6,8-9H2,1-2H3,(H,17,21).
What are the key properties of 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide?
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 111422463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).