[methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate

C10H16N3O5P — CID 174854285

IUPAC[methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate
SMILESCOP(=O)(OC(=O)N1CCNCC1)On1cccc1
InChIInChI=1S/C10H16N3O5P/c1-16-19(15,18-13-6-2-3-7-13)17-10(14)12-8-4-11-5-9-12/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKeyPLOWUOMBTAKGGX-UHFFFAOYSA-N
MW289.23 g/mol
LogP0.71
Rot. Bonds4

About [methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate

[methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate (PubChem CID 174854285) has the molecular formula C10H16N3O5P and a molecular weight of 289.23 g/mol. Its IUPAC name is [methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate.

Molecular Properties

Compound Name[methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate
PubChem CID174854285
Molecular FormulaC10H16N3O5P
Molecular Weight289.23 g/mol
Exact Mass289.08
IUPAC Name[methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate
SMILESCOP(=O)(OC(=O)N1CCNCC1)On1cccc1
InChIInChI=1S/C10H16N3O5P/c1-16-19(15,18-13-6-2-3-7-13)17-10(14)12-8-4-11-5-9-12/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKeyPLOWUOMBTAKGGX-UHFFFAOYSA-N
XLogP0.71
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dimethyl piperazin-1-yl phosphate
CID 175316029
bis(ethenyl) 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
CID 14938690
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250
pyrrolidine-1-carbonyl piperazine-1-carboxylate
CID 169258310
ethane;propan-2-yl piperazine-1-carboxylate
CID 142145252
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
N-methoxy-N-methylpiperazine-1-carboxamide
CID 174898096
tert-butyl piperazine-1-carboxylate;nitroxyl
CID 172741064
1-piperazin-1-yl-2-pyrrol-1-ylethanone
CID 61350188
ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
CID 28507309
ethyl piperazine-1-carboxylate;sulfuric acid
CID 69107916

Frequently Asked Questions

What is the IUPAC name of [methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate?
The IUPAC name of [methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate (CID 174854285) is [methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate.
What is the SMILES notation for [methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate?
The canonical SMILES for [methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate is COP(=O)(OC(=O)N1CCNCC1)On1cccc1.
What is the InChIKey of [methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate?
The InChIKey is PLOWUOMBTAKGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N3O5P/c1-16-19(15,18-13-6-2-3-7-13)17-10(14)12-8-4-11-5-9-12/h2-3,6-7,11H,4-5,8-9H2,1H3.
What are the key properties of [methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate?
[methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate has a molecular weight of 289.23 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(pyrrol-1-yloxy)phosphoryl] piperazine-1-carboxylate is sourced from PubChem (CID 174854285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).