3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide

C13H20N2O2S — CID 110896289

IUPAC3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide
SMILESCC(Cc1cccs1)NC(=O)N1CCCC(O)C1
InChIInChI=1S/C13H20N2O2S/c1-10(8-12-5-3-7-18-12)14-13(17)15-6-2-4-11(16)9-15/h3,5,7,10-11,16H,2,4,6,8-9H2,1H3,(H,14,17)
InChIKeyNSPVPXQTESQQER-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.85
Rot. Bonds3

About 3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide

3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide (PubChem CID 110896289) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide
PubChem CID110896289
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide
SMILESCC(Cc1cccs1)NC(=O)N1CCCC(O)C1
InChIInChI=1S/C13H20N2O2S/c1-10(8-12-5-3-7-18-12)14-13(17)15-6-2-4-11(16)9-15/h3,5,7,10-11,16H,2,4,6,8-9H2,1H3,(H,14,17)
InChIKeyNSPVPXQTESQQER-UHFFFAOYSA-N
XLogP1.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 63292234
(3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide
CID 32597617
3-hydroxy-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
CID 111117330
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
CID 111560882
4-hydroxy-1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63292406
N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806
3-hydroxy-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 78892643
5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
CID 82848661
4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol
CID 103904586
(3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 95967512
(2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 124591408
cis-(1S,2R)-2-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091889

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide (CID 110896289) is 3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide is CC(Cc1cccs1)NC(=O)N1CCCC(O)C1.
What is the InChIKey of 3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide?
The InChIKey is NSPVPXQTESQQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(8-12-5-3-7-18-12)14-13(17)15-6-2-4-11(16)9-15/h3,5,7,10-11,16H,2,4,6,8-9H2,1H3,(H,14,17).
What are the key properties of 3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide?
3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 110896289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).