2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide

C15H23N3O2S — CID 9430946

IUPAC2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@@H]1C[C@H](C)CN([C@@H](C)C(=O)Nc2sccc2C(N)=O)C1
InChIInChI=1S/C15H23N3O2S/c1-9-6-10(2)8-18(7-9)11(3)14(20)17-15-12(13(16)19)4-5-21-15/h4-5,9-11H,6-8H2,1-3H3,(H2,16,19)(H,17,20)/t9-,10+,11-/m0/s1
InChIKeyLPKRZLVDIHWHMX-AXFHLTTASA-N
MW309.44 g/mol
LogP2.15
Rot. Bonds4

About 2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide

2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide (PubChem CID 9430946) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
PubChem CID9430946
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@@H]1C[C@H](C)CN([C@@H](C)C(=O)Nc2sccc2C(N)=O)C1
InChIInChI=1S/C15H23N3O2S/c1-9-6-10(2)8-18(7-9)11(3)14(20)17-15-12(13(16)19)4-5-21-15/h4-5,9-11H,6-8H2,1-3H3,(H2,16,19)(H,17,20)/t9-,10+,11-/m0/s1
InChIKeyLPKRZLVDIHWHMX-AXFHLTTASA-N
XLogP2.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide with MolForge

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Related Compounds

2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide
CID 9249663
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-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide
CID 9444116
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 46558698
2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 24674627
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 100836744
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-[[(2S)-2-(1-adamantylsulfanyl)propanoyl]amino]thiophene-3-carboxamide
CID 8514010
2-[[(2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9430918

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide (CID 9430946) is 2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide is C[C@@H]1C[C@H](C)CN([C@@H](C)C(=O)Nc2sccc2C(N)=O)C1.
What is the InChIKey of 2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide?
The InChIKey is LPKRZLVDIHWHMX-AXFHLTTASA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-9-6-10(2)8-18(7-9)11(3)14(20)17-15-12(13(16)19)4-5-21-15/h4-5,9-11H,6-8H2,1-3H3,(H2,16,19)(H,17,20)/t9-,10+,11-/m0/s1.
What are the key properties of 2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide?
2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 9430946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).