N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide

C16H24N2O2S — CID 110822238

IUPACN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCC(NC(=O)c2cccs2)CC1
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)11-14(19)18-8-6-12(7-9-18)17-15(20)13-5-4-10-21-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,20)
InChIKeyGNPXIMKAPDEMLE-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.91
Rot. Bonds3

About N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 110822238) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID110822238
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCC(NC(=O)c2cccs2)CC1
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)11-14(19)18-8-6-12(7-9-18)17-15(20)13-5-4-10-21-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,20)
InChIKeyGNPXIMKAPDEMLE-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822079
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
tert-butyl 3-(thiophene-2-carbonylamino)pyrrolidine-1-carboxylate
CID 71629640
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555942
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555920
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46454753
N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 93196885
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555909
N-(cyclopentylmethyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47071744
2,2-dimethyl-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 110820141
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(methanesulfonamido)benzamide
CID 108560513

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide (CID 110822238) is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide is CC(C)(C)CC(=O)N1CCC(NC(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is GNPXIMKAPDEMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-16(2,3)11-14(19)18-8-6-12(7-9-18)17-15(20)13-5-4-10-21-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,17,20).
What are the key properties of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide?
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 110822238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).