(3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide

C15H24N2O2S — CID 129431123

IUPAC(3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](OC)C1)c1cccs1
InChIInChI=1S/C15H24N2O2S/c1-4-12(14-6-5-9-20-14)16-15(18)17-8-7-11(2)13(10-17)19-3/h5-6,9,11-13H,4,7-8,10H2,1-3H3,(H,16,18)/t11-,12+,13+/m1/s1
InChIKeyZIBNNRYHRWJAJN-AGIUHOORSA-N
MW296.44 g/mol
LogP3.27
Rot. Bonds4

About (3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide

(3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide (PubChem CID 129431123) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
PubChem CID129431123
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](OC)C1)c1cccs1
InChIInChI=1S/C15H24N2O2S/c1-4-12(14-6-5-9-20-14)16-15(18)17-8-7-11(2)13(10-17)19-3/h5-6,9,11-13H,4,7-8,10H2,1-3H3,(H,16,18)/t11-,12+,13+/m1/s1
InChIKeyZIBNNRYHRWJAJN-AGIUHOORSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide with MolForge

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Related Compounds

3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide
CID 126425885
(2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide
CID 97096465
4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
CID 124608917
4-methyl-1-(1-thiophen-2-ylpropylcarbamoyl)piperidine-2-carboxylic acid
CID 114425398
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
4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 111438385
4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide
CID 60547485
4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 110901055
4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 102962668
(2S,4S)-4-hydroxy-1-(1-thiophen-2-ylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64713053

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide?
The IUPAC name of (3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide (CID 129431123) is (3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide?
The canonical SMILES for (3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide is CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](OC)C1)c1cccs1.
What is the InChIKey of (3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide?
The InChIKey is ZIBNNRYHRWJAJN-AGIUHOORSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-12(14-6-5-9-20-14)16-15(18)17-8-7-11(2)13(10-17)19-3/h5-6,9,11-13H,4,7-8,10H2,1-3H3,(H,16,18)/t11-,12+,13+/m1/s1.
What are the key properties of (3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide?
(3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide is sourced from PubChem (CID 129431123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).