5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide

C14H22N2OS — CID 126769120

IUPAC5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide
SMILESCC(C)C1CCCCN1Cc1cc(C(N)=O)cs1
InChIInChI=1S/C14H22N2OS/c1-10(2)13-5-3-4-6-16(13)8-12-7-11(9-18-12)14(15)17/h7,9-10,13H,3-6,8H2,1-2H3,(H2,15,17)
InChIKeyJFTSNYJVJZHMNO-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.86
Rot. Bonds4

About 5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide

5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide (PubChem CID 126769120) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide
PubChem CID126769120
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide
SMILESCC(C)C1CCCCN1Cc1cc(C(N)=O)cs1
InChIInChI=1S/C14H22N2OS/c1-10(2)13-5-3-4-6-16(13)8-12-7-11(9-18-12)14(15)17/h7,9-10,13H,3-6,8H2,1-2H3,(H2,15,17)
InChIKeyJFTSNYJVJZHMNO-UHFFFAOYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-propan-2-ylcyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 81462623
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 111106900
5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide
CID 81387753
5-[(1-cyclohexylethylamino)methyl]thiophene-3-carboxamide
CID 79613790
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119911778
5-(1,4-thiazepan-4-ylmethyl)thiophene-3-carboxamide
CID 75500670
5-[[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methyl]thiophene-3-carboxamide
CID 124725495
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]thiophene-3-carboxamide;hydrochloride
CID 120909633
methyl (2R)-2-phenyl-2-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]acetate
CID 52945836
tert-butyl (2R,5S)-4-[(4-carbamoylthiophen-2-yl)methyl]-2,5-dimethylpiperazine-1-carboxylate
CID 98857536
5-[[(2-tert-butylcyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 79613412
5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902676

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide (CID 126769120) is 5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide is CC(C)C1CCCCN1Cc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide?
The InChIKey is JFTSNYJVJZHMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)13-5-3-4-6-16(13)8-12-7-11(9-18-12)14(15)17/h7,9-10,13H,3-6,8H2,1-2H3,(H2,15,17).
What are the key properties of 5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide?
5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-ylpiperidin-1-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 126769120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).