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

C14H22N2O3S — CID 111439582

IUPACN-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(CCOCCO)CC1)c1ccsc1
InChIInChI=1S/C14H22N2O3S/c17-7-9-19-8-6-16-4-1-13(2-5-16)15-14(18)12-3-10-20-11-12/h3,10-11,13,17H,1-2,4-9H2,(H,15,18)
InChIKeySQNJCMSJWFBCKT-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.95
Rot. Bonds7

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

N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 111439582) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID111439582
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(CCOCCO)CC1)c1ccsc1
InChIInChI=1S/C14H22N2O3S/c17-7-9-19-8-6-16-4-1-13(2-5-16)15-14(18)12-3-10-20-11-12/h3,10-11,13,17H,1-2,4-9H2,(H,15,18)
InChIKeySQNJCMSJWFBCKT-UHFFFAOYSA-N
XLogP0.95
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 110931733
N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 111332774
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-[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-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119305242
N-(azetidin-3-yl)thiophene-3-carboxamide
CID 66187231

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide (CID 111439582) is N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide is O=C(NC1CCN(CCOCCO)CC1)c1ccsc1.
What is the InChIKey of N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is SQNJCMSJWFBCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c17-7-9-19-8-6-16-4-1-13(2-5-16)15-14(18)12-3-10-20-11-12/h3,10-11,13,17H,1-2,4-9H2,(H,15,18).
What are the key properties of N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 111439582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).