N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide

C14H21N3O2S — CID 119305242

IUPACN-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESNCCCC(=O)N1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C14H21N3O2S/c15-6-1-2-13(18)17-7-3-12(4-8-17)16-14(19)11-5-9-20-10-11/h5,9-10,12H,1-4,6-8,15H2,(H,16,19)
InChIKeySFCBFZRSQGMLCF-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.21
Rot. Bonds5

About N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide

N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 119305242) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID119305242
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESNCCCC(=O)N1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C14H21N3O2S/c15-6-1-2-13(18)17-7-3-12(4-8-17)16-14(19)11-5-9-20-10-11/h5,9-10,12H,1-4,6-8,15H2,(H,16,19)
InChIKeySFCBFZRSQGMLCF-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47071577
N-[1-(4-aminobutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 119309719
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752077
N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 110931733
N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752043
N-[4-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 35429839
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 77002400
N-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 51092675
2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide
CID 47713489
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368
N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 36512324

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide (CID 119305242) is N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide is NCCCC(=O)N1CCC(NC(=O)c2ccsc2)CC1.
What is the InChIKey of N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is SFCBFZRSQGMLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c15-6-1-2-13(18)17-7-3-12(4-8-17)16-14(19)11-5-9-20-10-11/h5,9-10,12H,1-4,6-8,15H2,(H,16,19).
What are the key properties of N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide?
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 119305242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).