N-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

C17H25N3O3S — CID 39966093

IUPACN-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)CC1
InChIInChI=1S/C17H25N3O3S/c1-11(2)15(19-16(22)14-5-4-10-24-14)17(23)18-13-6-8-20(9-7-13)12(3)21/h4-5,10-11,13,15H,6-9H2,1-3H3,(H,18,23)(H,19,22)/t15-/m1/s1
InChIKeySAQRUCSEPOMIPT-OAHLLOKOSA-N
MW351.47 g/mol
LogP1.63
Rot. Bonds5

About N-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 39966093) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID39966093
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)CC1
InChIInChI=1S/C17H25N3O3S/c1-11(2)15(19-16(22)14-5-4-10-24-14)17(23)18-13-6-8-20(9-7-13)12(3)21/h4-5,10-11,13,15H,6-9H2,1-3H3,(H,18,23)(H,19,22)/t15-/m1/s1
InChIKeySAQRUCSEPOMIPT-OAHLLOKOSA-N
XLogP1.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46540087
N-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 110880549
N-[3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 47909570
N-(1-acetylpiperidin-4-yl)-2-amino-2-thiophen-2-ylacetamide
CID 115286367
N-[3-methyl-1-oxo-1-(4-propan-2-ylpiperazin-1-yl)butan-2-yl]thiophene-2-carboxamide
CID 86926544
N-[1-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46510433
N-[1-[(2-amino-1-cyclohexylethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119591130
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 4067887
N-[1-[[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 49055305
N-[1-(2-aminoethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119384385
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55484698

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 39966093) is N-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(=O)N1CCC(NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)CC1.
What is the InChIKey of N-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is SAQRUCSEPOMIPT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-11(2)15(19-16(22)14-5-4-10-24-14)17(23)18-13-6-8-20(9-7-13)12(3)21/h4-5,10-11,13,15H,6-9H2,1-3H3,(H,18,23)(H,19,22)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(1-acetylpiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 39966093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).