5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide

C14H21N3O2S — CID 79614623

IUPAC5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide
SMILESCC(NCc1cc(C(N)=O)cs1)C(=O)N1CCCCC1
InChIInChI=1S/C14H21N3O2S/c1-10(14(19)17-5-3-2-4-6-17)16-8-12-7-11(9-20-12)13(15)18/h7,9-10,16H,2-6,8H2,1H3,(H2,15,18)
InChIKeyFIOQLRWEFTYMKC-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.34
Rot. Bonds5

About 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide

5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide (PubChem CID 79614623) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide
PubChem CID79614623
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide
SMILESCC(NCc1cc(C(N)=O)cs1)C(=O)N1CCCCC1
InChIInChI=1S/C14H21N3O2S/c1-10(14(19)17-5-3-2-4-6-17)16-8-12-7-11(9-20-12)13(15)18/h7,9-10,16H,2-6,8H2,1H3,(H2,15,18)
InChIKeyFIOQLRWEFTYMKC-UHFFFAOYSA-N
XLogP1.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromothiophen-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866286
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile
CID 79552920
5-[(1-cyclohexylethylamino)methyl]thiophene-3-carboxamide
CID 79613790
5-[[[(1S)-1-cyclohexylethyl]amino]methyl]thiophene-3-carboxamide
CID 81387753
1-(azepan-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one
CID 104589380
2-[(5-bromothiophen-3-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866261
5-[[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]methyl]thiophene-3-carboxamide
CID 79613485
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956
5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79606562
1-(azepan-1-yl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propan-1-one
CID 61207981
5-[(1-phenylethylamino)methyl]thiophene-3-carboxamide
CID 79605581

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide (CID 79614623) is 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide is CC(NCc1cc(C(N)=O)cs1)C(=O)N1CCCCC1.
What is the InChIKey of 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide?
The InChIKey is FIOQLRWEFTYMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(14(19)17-5-3-2-4-6-17)16-8-12-7-11(9-20-12)13(15)18/h7,9-10,16H,2-6,8H2,1H3,(H2,15,18).
What are the key properties of 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide?
5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).