N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide

C15H24N2O3S — CID 111332774

IUPACN-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(CCOCCO)CC2)s1
InChIInChI=1S/C15H24N2O3S/c1-12-2-3-14(21-12)15(19)16-13-4-6-17(7-5-13)8-10-20-11-9-18/h2-3,13,18H,4-11H2,1H3,(H,16,19)
InChIKeyRCFJAUYLVOTDQD-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.26
Rot. Bonds7

About N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide

N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide (PubChem CID 111332774) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
PubChem CID111332774
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(CCOCCO)CC2)s1
InChIInChI=1S/C15H24N2O3S/c1-12-2-3-14(21-12)15(19)16-13-4-6-17(7-5-13)8-10-20-11-9-18/h2-3,13,18H,4-11H2,1H3,(H,16,19)
InChIKeyRCFJAUYLVOTDQD-UHFFFAOYSA-N
XLogP1.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.26
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-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 111439582
N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49448249
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 120899451
N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 75470831
5-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
CID 17249869
N-[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49414960
N-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49448028
tert-butyl N-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]piperidin-4-yl]carbamate
CID 156865630
N-[1-(4-aminobutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 119309719
N-[1-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 60606891
N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 120590841
5-methyl-N-[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 49448378

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide (CID 111332774) is N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC2CCN(CCOCCO)CC2)s1.
What is the InChIKey of N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is RCFJAUYLVOTDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-2-3-14(21-12)15(19)16-13-4-6-17(7-5-13)8-10-20-11-9-18/h2-3,13,18H,4-11H2,1H3,(H,16,19).
What are the key properties of N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 1.26, 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]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 111332774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).