5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide

C18H28N2O3S — CID 136515960

IUPAC5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCOCCC(=O)N1CCC(NC(=O)c2ccc(C(C)(C)C)s2)CC1
InChIInChI=1S/C18H28N2O3S/c1-18(2,3)15-6-5-14(24-15)17(22)19-13-7-10-20(11-8-13)16(21)9-12-23-4/h5-6,13H,7-12H2,1-4H3,(H,19,22)
InChIKeyDYSOQDZWTDOOFD-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.80
Rot. Bonds5

About 5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide

5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 136515960) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID136515960
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCOCCC(=O)N1CCC(NC(=O)c2ccc(C(C)(C)C)s2)CC1
InChIInChI=1S/C18H28N2O3S/c1-18(2,3)15-6-5-14(24-15)17(22)19-13-7-10-20(11-8-13)16(21)9-12-23-4/h5-6,13H,7-12H2,1-4H3,(H,19,22)
InChIKeyDYSOQDZWTDOOFD-UHFFFAOYSA-N
XLogP2.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 136515255
N-[1-(4-aminobutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 119309719
N-[1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 60607207
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554268
4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 136516441
N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 120590841
3-acetamido-N-[1-(3-methoxypropanoyl)piperidin-4-yl]benzamide
CID 108553862
2-chloro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108566430
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
2-[2-[[1-(3-methoxypropanoyl)piperidin-4-yl]carbamoyl]phenyl]sulfanylpropanoic acid
CID 120551828
5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
CID 49361294
2-(4-chlorophenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]propanamide
CID 108553182

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide (CID 136515960) is 5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide is COCCC(=O)N1CCC(NC(=O)c2ccc(C(C)(C)C)s2)CC1.
What is the InChIKey of 5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is DYSOQDZWTDOOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-18(2,3)15-6-5-14(24-15)17(22)19-13-7-10-20(11-8-13)16(21)9-12-23-4/h5-6,13H,7-12H2,1-4H3,(H,19,22).
What are the key properties of 5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide?
5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 136515960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).