1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C16H26N2O2S — CID 110932610

IUPAC1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC(C)(O)CN1CCC(C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C16H26N2O2S/c1-16(2,20)12-18-9-6-13(7-10-18)15(19)17-8-5-14-4-3-11-21-14/h3-4,11,13,20H,5-10,12H2,1-2H3,(H,17,19)
InChIKeyQSKFLUYUNLMCNO-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.89
Rot. Bonds6

About 1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 110932610) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID110932610
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC(C)(O)CN1CCC(C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C16H26N2O2S/c1-16(2,20)12-18-9-6-13(7-10-18)15(19)17-8-5-14-4-3-11-21-14/h3-4,11,13,20H,5-10,12H2,1-2H3,(H,17,19)
InChIKeyQSKFLUYUNLMCNO-UHFFFAOYSA-N
XLogP1.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
1-[(2,4-dichlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600278
1-[(2S)-2-amino-3-methylbutanoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119308575
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
1-[2-(methoxymethyl)benzoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600032
1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600504
N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide
CID 86863889
1-(6-methylpyrimidin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133304116

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 110932610) is 1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is CC(C)(O)CN1CCC(C(=O)NCCc2cccs2)CC1.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is QSKFLUYUNLMCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-16(2,20)12-18-9-6-13(7-10-18)15(19)17-8-5-14-4-3-11-21-14/h3-4,11,13,20H,5-10,12H2,1-2H3,(H,17,19).
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 310.46 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 110932610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).