4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide

C20H32N2O3 — CID 126423568

IUPAC4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
SMILESCOC(C)(C)CNC(=O)N1CCC([C@@H](O)CCc2ccccc2)CC1
InChIInChI=1S/C20H32N2O3/c1-20(2,25-3)15-21-19(24)22-13-11-17(12-14-22)18(23)10-9-16-7-5-4-6-8-16/h4-8,17-18,23H,9-15H2,1-3H3,(H,21,24)/t18-/m0/s1
InChIKeyCLFKPFCZEXUHBU-SFHVURJKSA-N
MW348.49 g/mol
LogP2.83
Rot. Bonds7

About 4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide

4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide (PubChem CID 126423568) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
PubChem CID126423568
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
SMILESCOC(C)(C)CNC(=O)N1CCC([C@@H](O)CCc2ccccc2)CC1
InChIInChI=1S/C20H32N2O3/c1-20(2,25-3)15-21-19(24)22-13-11-17(12-14-22)18(23)10-9-16-7-5-4-6-8-16/h4-8,17-18,23H,9-15H2,1-3H3,(H,21,24)/t18-/m0/s1
InChIKeyCLFKPFCZEXUHBU-SFHVURJKSA-N
XLogP2.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hydroxy-3-phenylpropyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 119058706
4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 121499174
N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 125441834
N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 126424800
N-[(1-ethylpyrazol-4-yl)methyl]-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide
CID 121495483
4-[(4-fluorophenyl)-hydroxymethyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 111482924
4-(1-hydroxyethyl)-N-(2-methyl-2-phenylpropyl)piperidine-1-carboxamide
CID 111438231
(3R)-N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide
CID 126431344
[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
CID 131901997
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
CID 111977577
(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone
CID 70766957
4-[(2R)-2-cyclopropyl-2-hydroxyethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 97039182

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide (CID 126423568) is 4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide is COC(C)(C)CNC(=O)N1CCC([C@@H](O)CCc2ccccc2)CC1.
What is the InChIKey of 4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is CLFKPFCZEXUHBU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-20(2,25-3)15-21-19(24)22-13-11-17(12-14-22)18(23)10-9-16-7-5-4-6-8-16/h4-8,17-18,23H,9-15H2,1-3H3,(H,21,24)/t18-/m0/s1.
What are the key properties of 4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide?
4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 126423568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).