1-(4-hydroxybutyl)-6-[(3R)-3-hydroxy-4-phenylbutyl]piperidin-2-one

C19H29NO3 — CID 173142935

IUPAC1-(4-hydroxybutyl)-6-[(3R)-3-hydroxy-4-phenylbutyl]piperidin-2-one
SMILESO=C1CCCC(CC[C@@H](O)Cc2ccccc2)N1CCCCO
InChIInChI=1S/C19H29NO3/c21-14-5-4-13-20-17(9-6-10-19(20)23)11-12-18(22)15-16-7-2-1-3-8-16/h1-3,7-8,17-18,21-22H,4-6,9-15H2/t17?,18-/m1/s1
InChIKeyUIIKGCKGYQVSOX-QRWMCTBCSA-N
MW319.44 g/mol
LogP2.52
Rot. Bonds9

About 1-(4-hydroxybutyl)-6-[(3R)-3-hydroxy-4-phenylbutyl]piperidin-2-one

1-(4-hydroxybutyl)-6-[(3R)-3-hydroxy-4-phenylbutyl]piperidin-2-one (PubChem CID 173142935) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 1-(4-hydroxybutyl)-6-[(3R)-3-hydroxy-4-phenylbutyl]piperidin-2-one.

Molecular Properties

Compound Name1-(4-hydroxybutyl)-6-[(3R)-3-hydroxy-4-phenylbutyl]piperidin-2-one
PubChem CID173142935
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name1-(4-hydroxybutyl)-6-[(3R)-3-hydroxy-4-phenylbutyl]piperidin-2-one
SMILESO=C1CCCC(CC[C@@H](O)Cc2ccccc2)N1CCCCO
InChIInChI=1S/C19H29NO3/c21-14-5-4-13-20-17(9-6-10-19(20)23)11-12-18(22)15-16-7-2-1-3-8-16/h1-3,7-8,17-18,21-22H,4-6,9-15H2/t17?,18-/m1/s1
InChIKeyUIIKGCKGYQVSOX-QRWMCTBCSA-N
XLogP2.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(trans-4-Hydroxycyclohexyl)-6-phenylhexanamide
CID 154665740
7-((S)-2-(3-hydroxy-4-phenylbutyl)-5-oxopyrrolidin-1-yl)heptanoic acid
CID 9820333
Lansamide 3
CID 10685418
N-[(2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 24761779
7-[(2S)-2-[(3S)-3-hydroxy-5-phenylpentyl]-5-oxopyrrolidin-1-yl]heptanoic acid
CID 71458060
1-[(2S,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]butan-2-one
CID 162971198
Sedinone
CID 14825337
(3S,5R,6R)-1,3,6-Tribenzyl-5-hydroxy-piperidin-2-one
CID 468424
1-Piperidinepropanamide, alpha-(2-hydroxy-1-phenylethyl)-
CID 3062957
7-(2-(3-Hydroxy-5-phenylpentyl)-5-oxopyrrolidin-1-yl)heptanoic acid
CID 44409892
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
CID 44456514
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
CID 44456544

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybutyl)-6-[(3R)-3-hydroxy-4-phenylbutyl]piperidin-2-one?
The IUPAC name of 1-(4-hydroxybutyl)-6-[(3R)-3-hydroxy-4-phenylbutyl]piperidin-2-one (CID 173142935) is 1-(4-hydroxybutyl)-6-[(3R)-3-hydroxy-4-phenylbutyl]piperidin-2-one.
What is the SMILES notation for 1-(4-hydroxybutyl)-6-[(3R)-3-hydroxy-4-phenylbutyl]piperidin-2-one?
The canonical SMILES for 1-(4-hydroxybutyl)-6-[(3R)-3-hydroxy-4-phenylbutyl]piperidin-2-one is O=C1CCCC(CC[C@@H](O)Cc2ccccc2)N1CCCCO.
What is the InChIKey of 1-(4-hydroxybutyl)-6-[(3R)-3-hydroxy-4-phenylbutyl]piperidin-2-one?
The InChIKey is UIIKGCKGYQVSOX-QRWMCTBCSA-N. The full InChI is InChI=1S/C19H29NO3/c21-14-5-4-13-20-17(9-6-10-19(20)23)11-12-18(22)15-16-7-2-1-3-8-16/h1-3,7-8,17-18,21-22H,4-6,9-15H2/t17?,18-/m1/s1.
What are the key properties of 1-(4-hydroxybutyl)-6-[(3R)-3-hydroxy-4-phenylbutyl]piperidin-2-one?
1-(4-hydroxybutyl)-6-[(3R)-3-hydroxy-4-phenylbutyl]piperidin-2-one has a molecular weight of 319.44 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutyl)-6-[(3R)-3-hydroxy-4-phenylbutyl]piperidin-2-one is sourced from PubChem (CID 173142935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).