N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide

C16H25N3O2S — CID 119752077

IUPACN-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCCCC(C)(N)C(=O)N1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C16H25N3O2S/c1-3-7-16(2,17)15(21)19-8-4-13(5-9-19)18-14(20)12-6-10-22-11-12/h6,10-11,13H,3-5,7-9,17H2,1-2H3,(H,18,20)
InChIKeyBRMMTZCJXJIHMU-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.99
Rot. Bonds5

About N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide

N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 119752077) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID119752077
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCCCC(C)(N)C(=O)N1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C16H25N3O2S/c1-3-7-16(2,17)15(21)19-8-4-13(5-9-19)18-14(20)12-6-10-22-11-12/h6,10-11,13H,3-5,7-9,17H2,1-2H3,(H,18,20)
InChIKeyBRMMTZCJXJIHMU-UHFFFAOYSA-N
XLogP1.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721489
N-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 51092675
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119305242
N-[1-(3,4-dipropoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578028
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 111106047
1-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119750510
2-amino-2-methyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 60937727
N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752043
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 77002400
N-(azetidin-3-yl)thiophene-3-carboxamide
CID 66187231
N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 110931733

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide (CID 119752077) is N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide is CCCC(C)(N)C(=O)N1CCC(NC(=O)c2ccsc2)CC1.
What is the InChIKey of N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is BRMMTZCJXJIHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-3-7-16(2,17)15(21)19-8-4-13(5-9-19)18-14(20)12-6-10-22-11-12/h6,10-11,13H,3-5,7-9,17H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide?
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 119752077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).