6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid

C19H38NO5P — CID 58804739

IUPAC6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid
SMILESCCCCCC(O)CC[C@H]1CCCC(=O)N1CCCCCCP(=O)(O)O
InChIInChI=1S/C19H38NO5P/c1-2-3-6-11-18(21)14-13-17-10-9-12-19(22)20(17)15-7-4-5-8-16-26(23,24)25/h17-18,21H,2-16H2,1H3,(H2,23,24,25)/t17-,18?/m1/s1
InChIKeyQZUKJWOKVNXMQA-QNSVNVJESA-N
MW391.49 g/mol
LogP3.83
Rot. Bonds14

About 6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid

6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid (PubChem CID 58804739) has the molecular formula C19H38NO5P and a molecular weight of 391.49 g/mol. Its IUPAC name is 6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid.

Molecular Properties

Compound Name6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid
PubChem CID58804739
Molecular FormulaC19H38NO5P
Molecular Weight391.49 g/mol
Exact Mass391.25
IUPAC Name6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid
SMILESCCCCCC(O)CC[C@H]1CCCC(=O)N1CCCCCCP(=O)(O)O
InChIInChI=1S/C19H38NO5P/c1-2-3-6-11-18(21)14-13-17-10-9-12-19(22)20(17)15-7-4-5-8-16-26(23,24)25/h17-18,21H,2-16H2,1H3,(H2,23,24,25)/t17-,18?/m1/s1
InChIKeyQZUKJWOKVNXMQA-QNSVNVJESA-N
XLogP3.83
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]heptanamide
CID 58804748
4-[2-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]ethylsulfanyl]butanoic acid
CID 58770096
7-[(2R)-2-(3-hydroxy-7-sulfanyloctyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 58804803
4-[2-[(2R)-2-[(3R)-3-hydroxynonyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid
CID 69250449
5-[(2R)-2-[(5Z,6Z)-5-ethylidene-3-hydroxynona-6,8-dienyl]-6-oxopiperidin-1-yl]pentyl hydrogen carbonate
CID 143235008
propan-2-yl 7-[(2R)-2-[(3R)-3-hydroxy-4-phenylbutyl]-6-oxopiperidin-1-yl]heptanoate
CID 67359668
(6R)-6-[(3S)-3-hydroxy-4-phenylbutyl]-1-[6-(5H-tetrazol-5-yl)hexyl]piperidin-2-one
CID 11395460
7-[(2R)-2-(3-hydroxy-4-thiophen-2-ylbutyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 58804827
7-[(2R)-2-(3-hydroxyoct-1-enyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 69020366
7-[2-[(3R)-3-hydroxyoct-1-enyl]-6-oxopiperidin-1-yl]heptanoic acid
CID 91518834
3-[3-[(2R)-2-(3-hydroxy-4-phenylbutyl)-6-oxopiperidin-1-yl]propoxy]propanoic acid
CID 58804767
2-[4-[(2R)-2-[4-(4-chlorophenyl)-3-hydroxybutyl]-6-oxopiperidin-1-yl]butylsulfanyl]acetic acid
CID 58804773

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid?
The IUPAC name of 6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid (CID 58804739) is 6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid.
What is the SMILES notation for 6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid?
The canonical SMILES for 6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid is CCCCCC(O)CC[C@H]1CCCC(=O)N1CCCCCCP(=O)(O)O.
What is the InChIKey of 6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid?
The InChIKey is QZUKJWOKVNXMQA-QNSVNVJESA-N. The full InChI is InChI=1S/C19H38NO5P/c1-2-3-6-11-18(21)14-13-17-10-9-12-19(22)20(17)15-7-4-5-8-16-26(23,24)25/h17-18,21H,2-16H2,1H3,(H2,23,24,25)/t17-,18?/m1/s1.
What are the key properties of 6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid?
6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid has a molecular weight of 391.49 g/mol, XLogP of 3.83, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]hexylphosphonic acid is sourced from PubChem (CID 58804739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).