1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one

C15H32N3O4P — CID 155101173

IUPAC1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)N1CCN(P(=O)(OC(C)C)N(C)C)CC1
InChIInChI=1S/C15H32N3O4P/c1-8-21-15(4,5)14(19)17-9-11-18(12-10-17)23(20,16(6)7)22-13(2)3/h13H,8-12H2,1-7H3
InChIKeyFBMHBIQQAXAQMB-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.04
Rot. Bonds7

About 1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one

1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one (PubChem CID 155101173) has the molecular formula C15H32N3O4P and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one
PubChem CID155101173
Molecular FormulaC15H32N3O4P
Molecular Weight349.41 g/mol
Exact Mass349.21
IUPAC Name1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)N1CCN(P(=O)(OC(C)C)N(C)C)CC1
InChIInChI=1S/C15H32N3O4P/c1-8-21-15(4,5)14(19)17-9-11-18(12-10-17)23(20,16(6)7)22-13(2)3/h13H,8-12H2,1-7H3
InChIKeyFBMHBIQQAXAQMB-UHFFFAOYSA-N
XLogP2.04
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one?
The IUPAC name of 1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one (CID 155101173) is 1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one is CCOC(C)(C)C(=O)N1CCN(P(=O)(OC(C)C)N(C)C)CC1.
What is the InChIKey of 1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one?
The InChIKey is FBMHBIQQAXAQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N3O4P/c1-8-21-15(4,5)14(19)17-9-11-18(12-10-17)23(20,16(6)7)22-13(2)3/h13H,8-12H2,1-7H3.
What are the key properties of 1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one?
1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one has a molecular weight of 349.41 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[dimethylamino(propan-2-yloxy)phosphoryl]piperazin-1-yl]-2-ethoxy-2-methylpropan-1-one is sourced from PubChem (CID 155101173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).