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

C14H22N2O2S — CID 111106047

IUPACN-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCCC(O)CN1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-2-13(17)9-16-6-3-12(4-7-16)15-14(18)11-5-8-19-10-11/h5,8,10,12-13,17H,2-4,6-7,9H2,1H3,(H,15,18)
InChIKeyKGUWAUBZLMFDQF-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.71
Rot. Bonds5

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

N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 111106047) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID111106047
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCCC(O)CN1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C14H22N2O2S/c1-2-13(17)9-16-6-3-12(4-7-16)15-14(18)11-5-8-19-10-11/h5,8,10,12-13,17H,2-4,6-7,9H2,1H3,(H,15,18)
InChIKeyKGUWAUBZLMFDQF-UHFFFAOYSA-N
XLogP1.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 110931733
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 77002400
N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 111439582
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752077
N-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 51092675
N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550268
N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47549640
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119305242
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 75463411
N-(azetidin-3-yl)thiophene-3-carboxamide
CID 66187231
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47071577

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide (CID 111106047) is N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide is CCC(O)CN1CCC(NC(=O)c2ccsc2)CC1.
What is the InChIKey of N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is KGUWAUBZLMFDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-13(17)9-16-6-3-12(4-7-16)15-14(18)11-5-8-19-10-11/h5,8,10,12-13,17H,2-4,6-7,9H2,1H3,(H,15,18).
What are the key properties of N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide?
N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 111106047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).