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

C14H22N2O2S — CID 111112713

IUPACN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
SMILESCC1CCN(CC(O)CNC(=O)c2cccs2)CC1
InChIInChI=1S/C14H22N2O2S/c1-11-4-6-16(7-5-11)10-12(17)9-15-14(18)13-3-2-8-19-13/h2-3,8,11-12,17H,4-7,9-10H2,1H3,(H,15,18)
InChIKeyWSVKVTSVVVWWKS-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.57
Rot. Bonds5

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

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide (PubChem CID 111112713) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
PubChem CID111112713
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
SMILESCC1CCN(CC(O)CNC(=O)c2cccs2)CC1
InChIInChI=1S/C14H22N2O2S/c1-11-4-6-16(7-5-11)10-12(17)9-15-14(18)13-3-2-8-19-13/h2-3,8,11-12,17H,4-7,9-10H2,1H3,(H,15,18)
InChIKeyWSVKVTSVVVWWKS-UHFFFAOYSA-N
XLogP1.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
CID 111422463
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methylpyridine-2-carboxamide
CID 111112729
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]-1,2,5-thiadiazole-3-carboxamide
CID 111422524
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 111112860
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]-2-(5-methylthiophen-2-yl)acetamide
CID 111422497
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 111112821
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-methylindole-2-carboxamide
CID 111112721

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide (CID 111112713) is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide is CC1CCN(CC(O)CNC(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide?
The InChIKey is WSVKVTSVVVWWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-4-6-16(7-5-11)10-12(17)9-15-14(18)13-3-2-8-19-13/h2-3,8,11-12,17H,4-7,9-10H2,1H3,(H,15,18).
What are the key properties of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide?
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 111112713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).