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

C14H22N2O2S — CID 110931733

IUPACN-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(CCCCO)CC1)c1ccsc1
InChIInChI=1S/C14H22N2O2S/c17-9-2-1-6-16-7-3-13(4-8-16)15-14(18)12-5-10-19-11-12/h5,10-11,13,17H,1-4,6-9H2,(H,15,18)
InChIKeyQWRAXTSGAJIBPT-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.71
Rot. Bonds6

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

N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 110931733) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID110931733
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(CCCCO)CC1)c1ccsc1
InChIInChI=1S/C14H22N2O2S/c17-9-2-1-6-16-7-3-13(4-8-16)15-14(18)12-5-10-19-11-12/h5,10-11,13,17H,1-4,6-9H2,(H,15,18)
InChIKeyQWRAXTSGAJIBPT-UHFFFAOYSA-N
XLogP1.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 111439582
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 77002400
N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 111106047
N-[1-[2-(4-bromopyrazol-1-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 75463411
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119305242
N-[1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47549640
N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47549626
N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 86842848
N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550268
N-[2-(1,4-oxazepan-4-yl)ethyl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
CID 131960395
N-(azetidin-3-yl)thiophene-3-carboxamide
CID 66187231
N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide
CID 164653916

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide (CID 110931733) is N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide is O=C(NC1CCN(CCCCO)CC1)c1ccsc1.
What is the InChIKey of N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is QWRAXTSGAJIBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c17-9-2-1-6-16-7-3-13(4-8-16)15-14(18)12-5-10-19-11-12/h5,10-11,13,17H,1-4,6-9H2,(H,15,18).
What are the key properties of N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide?
N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 110931733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).