(2-oxo-2-piperidin-1-ylethyl)phosphonic acid

C7H14NO4P — CID 19906153

IUPAC(2-oxo-2-piperidin-1-ylethyl)phosphonic acid
SMILESO=C(CP(=O)(O)O)N1CCCCC1
InChIInChI=1S/C7H14NO4P/c9-7(6-13(10,11)12)8-4-2-1-3-5-8/h1-6H2,(H2,10,11,12)
InChIKeyDVAVRLRJDSOFNA-UHFFFAOYSA-N
MW207.17 g/mol
LogP0.18
Rot. Bonds2

About (2-oxo-2-piperidin-1-ylethyl)phosphonic acid

(2-oxo-2-piperidin-1-ylethyl)phosphonic acid (PubChem CID 19906153) has the molecular formula C7H14NO4P and a molecular weight of 207.17 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl)phosphonic acid.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl)phosphonic acid
PubChem CID19906153
Molecular FormulaC7H14NO4P
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name(2-oxo-2-piperidin-1-ylethyl)phosphonic acid
SMILESO=C(CP(=O)(O)O)N1CCCCC1
InChIInChI=1S/C7H14NO4P/c9-7(6-13(10,11)12)8-4-2-1-3-5-8/h1-6H2,(H2,10,11,12)
InChIKeyDVAVRLRJDSOFNA-UHFFFAOYSA-N
XLogP0.18
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
CID 14367450
1-(azepan-1-yl)propan-1-one
CID 3613534
1-(azepan-1-yl)-3-hydroxypropan-1-one
CID 82111325
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
(2-oxo-2-pyrrolidin-1-ylethyl)azanium
CID 40787505
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone
CID 21435705
(2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid
CID 67330383

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl)phosphonic acid?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl)phosphonic acid (CID 19906153) is (2-oxo-2-piperidin-1-ylethyl)phosphonic acid.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl)phosphonic acid?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl)phosphonic acid is O=C(CP(=O)(O)O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl)phosphonic acid?
The InChIKey is DVAVRLRJDSOFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO4P/c9-7(6-13(10,11)12)8-4-2-1-3-5-8/h1-6H2,(H2,10,11,12).
What are the key properties of (2-oxo-2-piperidin-1-ylethyl)phosphonic acid?
(2-oxo-2-piperidin-1-ylethyl)phosphonic acid has a molecular weight of 207.17 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl)phosphonic acid is sourced from PubChem (CID 19906153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).