1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide

C16H24N4O3S — CID 25479932

IUPAC1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide
SMILESC[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C16H24N4O3S/c1-10(14(22)18-15-12(13(17)21)6-9-24-15)20-7-4-11(5-8-20)16(23)19(2)3/h6,9-11H,4-5,7-8H2,1-3H3,(H2,17,21)(H,18,22)/t10-/m0/s1
InChIKeyBBIJKXCLJTXZMA-JTQLQIEISA-N
MW352.46 g/mol
LogP0.97
Rot. Bonds5

About 1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide

1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 25479932) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID25479932
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide
SMILESC[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C16H24N4O3S/c1-10(14(22)18-15-12(13(17)21)6-9-24-15)20-7-4-11(5-8-20)16(23)19(2)3/h6,9-11H,4-5,7-8H2,1-3H3,(H2,17,21)(H,18,22)/t10-/m0/s1
InChIKeyBBIJKXCLJTXZMA-JTQLQIEISA-N
XLogP0.97
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 9430946
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
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-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 75464153
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-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide
CID 9444116
2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide
CID 47287881

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide (CID 25479932) is 1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide is C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC(C(=O)N(C)C)CC1.
What is the InChIKey of 1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is BBIJKXCLJTXZMA-JTQLQIEISA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-10(14(22)18-15-12(13(17)21)6-9-24-15)20-7-4-11(5-8-20)16(23)19(2)3/h6,9-11H,4-5,7-8H2,1-3H3,(H2,17,21)(H,18,22)/t10-/m0/s1.
What are the key properties of 1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide?
1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 25479932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).