4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide

C17H28N2O2S — CID 111438385

IUPAC4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
SMILESCC(C)CC(NC(=O)N1CCC(C(C)O)CC1)c1cccs1
InChIInChI=1S/C17H28N2O2S/c1-12(2)11-15(16-5-4-10-22-16)18-17(21)19-8-6-14(7-9-19)13(3)20/h4-5,10,12-15,20H,6-9,11H2,1-3H3,(H,18,21)
InChIKeyJLMITAGDMGGYMW-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.64
Rot. Bonds5

About 4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide

4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide (PubChem CID 111438385) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
PubChem CID111438385
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
SMILESCC(C)CC(NC(=O)N1CCC(C(C)O)CC1)c1cccs1
InChIInChI=1S/C17H28N2O2S/c1-12(2)11-15(16-5-4-10-22-16)18-17(21)19-8-6-14(7-9-19)13(3)20/h4-5,10,12-15,20H,6-9,11H2,1-3H3,(H,18,21)
InChIKeyJLMITAGDMGGYMW-UHFFFAOYSA-N
XLogP3.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 110901055
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]pyrrolidine-1-carboxamide
CID 98203059
3-acetamido-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]azetidine-1-carboxamide
CID 100666900
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 110901056
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
(3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 129431123
4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
CID 124608917
4-(2-methylpyrazol-3-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 124607053
4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 124890430
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438580
(2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide
CID 97096465

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide (CID 111438385) is 4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide is CC(C)CC(NC(=O)N1CCC(C(C)O)CC1)c1cccs1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide?
The InChIKey is JLMITAGDMGGYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-12(2)11-15(16-5-4-10-22-16)18-17(21)19-8-6-14(7-9-19)13(3)20/h4-5,10,12-15,20H,6-9,11H2,1-3H3,(H,18,21).
What are the key properties of 4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide?
4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide has a molecular weight of 324.49 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide is sourced from PubChem (CID 111438385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).