4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide

C12H19N3O3 — CID 97031670

IUPAC4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C12H19N3O3/c1-13-12(17)15-7-5-14(6-8-15)11(16)10-4-2-3-9-18-10/h4H,2-3,5-9H2,1H3,(H,13,17)
InChIKeyPWIGVHFNJQLUHQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.16
Rot. Bonds1

About 4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide

4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide (PubChem CID 97031670) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide
PubChem CID97031670
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(C(=O)C2=CCCCO2)CC1
InChIInChI=1S/C12H19N3O3/c1-13-12(17)15-7-5-14(6-8-15)11(16)10-4-2-3-9-18-10/h4H,2-3,5-9H2,1H3,(H,13,17)
InChIKeyPWIGVHFNJQLUHQ-UHFFFAOYSA-N
XLogP0.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide (CID 97031670) is 4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide is CNC(=O)N1CCN(C(=O)C2=CCCCO2)CC1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide?
The InChIKey is PWIGVHFNJQLUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-13-12(17)15-7-5-14(6-8-15)11(16)10-4-2-3-9-18-10/h4H,2-3,5-9H2,1H3,(H,13,17).
What are the key properties of 4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide?
4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-6-carbonyl)-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 97031670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).