1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one

C13H18N2O3 — CID 71924801

IUPAC1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one
SMILESO=C(C1=CCCCO1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C13H18N2O3/c16-12-9-14(6-7-15(12)10-4-5-10)13(17)11-3-1-2-8-18-11/h3,10H,1-2,4-9H2
InChIKeyYFXYPGDZYIHGFE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.51
Rot. Bonds2

About 1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one

1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one (PubChem CID 71924801) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one
PubChem CID71924801
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one
SMILESO=C(C1=CCCCO1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C13H18N2O3/c16-12-9-14(6-7-15(12)10-4-5-10)13(17)11-3-1-2-8-18-11/h3,10H,1-2,4-9H2
InChIKeyYFXYPGDZYIHGFE-UHFFFAOYSA-N
XLogP0.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one?
The IUPAC name of 1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one (CID 71924801) is 1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one?
The canonical SMILES for 1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one is O=C(C1=CCCCO1)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one?
The InChIKey is YFXYPGDZYIHGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12-9-14(6-7-15(12)10-4-5-10)13(17)11-3-1-2-8-18-11/h3,10H,1-2,4-9H2.
What are the key properties of 1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one?
1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-2-one is sourced from PubChem (CID 71924801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).