2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide

C13H19N3O2S — CID 9249663

IUPAC2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide
SMILESC[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCCCC1
InChIInChI=1S/C13H19N3O2S/c1-9(16-6-3-2-4-7-16)12(18)15-13-10(11(14)17)5-8-19-13/h5,8-9H,2-4,6-7H2,1H3,(H2,14,17)(H,15,18)/t9-/m0/s1
InChIKeyNUZRMTQKJDXGHP-VIFPVBQESA-N
MW281.38 g/mol
LogP1.66
Rot. Bonds4

About 2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide

2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide (PubChem CID 9249663) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide
PubChem CID9249663
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide
SMILESC[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCCCC1
InChIInChI=1S/C13H19N3O2S/c1-9(16-6-3-2-4-7-16)12(18)15-13-10(11(14)17)5-8-19-13/h5,8-9H,2-4,6-7H2,1H3,(H2,14,17)(H,15,18)/t9-/m0/s1
InChIKeyNUZRMTQKJDXGHP-VIFPVBQESA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 40820681
1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 25479932
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 46558698
2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 9430946
2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 24674627
2-[2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 18286430
2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide
CID 9459404
2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 100836744
2-[2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 46632147
2-[[(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]thiophene-3-carboxamide
CID 9249806
2-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 75464153
2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxamide
CID 8894856

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide (CID 9249663) is 2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide is C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCCCC1.
What is the InChIKey of 2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide?
The InChIKey is NUZRMTQKJDXGHP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(16-6-3-2-4-7-16)12(18)15-13-10(11(14)17)5-8-19-13/h5,8-9H,2-4,6-7H2,1H3,(H2,14,17)(H,15,18)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide?
2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 9249663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).