2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate

C7H14NO5P — CID 175962032

IUPAC2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate
SMILESO=C1CCCCN1CCOP(=O)(O)O
InChIInChI=1S/C7H14NO5P/c9-7-3-1-2-4-8(7)5-6-13-14(10,11)12/h1-6H2,(H2,10,11,12)
InChIKeyNCNBPTZJIKYOOQ-UHFFFAOYSA-N
MW223.16 g/mol
LogP0.11
Rot. Bonds4

About 2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate

2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate (PubChem CID 175962032) has the molecular formula C7H14NO5P and a molecular weight of 223.16 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate
PubChem CID175962032
Molecular FormulaC7H14NO5P
Molecular Weight223.16 g/mol
Exact Mass223.06
IUPAC Name2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate
SMILESO=C1CCCCN1CCOP(=O)(O)O
InChIInChI=1S/C7H14NO5P/c9-7-3-1-2-4-8(7)5-6-13-14(10,11)12/h1-6H2,(H2,10,11,12)
InChIKeyNCNBPTZJIKYOOQ-UHFFFAOYSA-N
XLogP0.11
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate 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

2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
7-O-[2-(2-oxopyrrolidin-1-yl)ethyl] 1-O-(2-phosphonooxyethyl) 6-tert-butyl-2,2,3,3,4,4,6-heptamethylheptanedioate
CID 134604808
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one
CID 67625232
4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842029
1-(2-difluoroboranylethyl)piperidin-2-one
CID 123234744
1-[4-[4-(2-oxoazepan-1-yl)butoxy]butyl]azepan-2-one;1-[3-[3-(2-oxoazepan-1-yl)propoxy]propyl]azepan-2-one;1-[4-[4-(2-oxopiperidin-1-yl)butoxy]butyl]piperidin-2-one
CID 159014559
1-[3-[4-(2-oxopiperidin-1-yl)butoxy]propyl]azepan-2-one
CID 67613855
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
CID 58604092
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
1-[4-[(2-oxopiperidin-1-yl)methoxy]butyl]piperidin-2-one
CID 57384624

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate?
The IUPAC name of 2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate (CID 175962032) is 2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate is O=C1CCCCN1CCOP(=O)(O)O.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate?
The InChIKey is NCNBPTZJIKYOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO5P/c9-7-3-1-2-4-8(7)5-6-13-14(10,11)12/h1-6H2,(H2,10,11,12).
What are the key properties of 2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate?
2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate has a molecular weight of 223.16 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-1-yl)ethyl dihydrogen phosphate is sourced from PubChem (CID 175962032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).