6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxopyran-2-carboxamide

C15H22N2O3 — CID 91774922

IUPAC6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC(C)C2CCN(C)CC2)o1
InChIInChI=1S/C15H22N2O3/c1-10-8-13(18)9-14(20-10)15(19)16-11(2)12-4-6-17(3)7-5-12/h8-9,11-12H,4-7H2,1-3H3,(H,16,19)
InChIKeySLLPSBFHZLDYLX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.41
Rot. Bonds3

About 6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxopyran-2-carboxamide

6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxopyran-2-carboxamide (PubChem CID 91774922) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxopyran-2-carboxamide
PubChem CID91774922
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC(C)C2CCN(C)CC2)o1
InChIInChI=1S/C15H22N2O3/c1-10-8-13(18)9-14(20-10)15(19)16-11(2)12-4-6-17(3)7-5-12/h8-9,11-12H,4-7H2,1-3H3,(H,16,19)
InChIKeySLLPSBFHZLDYLX-UHFFFAOYSA-N
XLogP1.41
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxopyran-2-carboxamide?
The IUPAC name of 6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxopyran-2-carboxamide (CID 91774922) is 6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxopyran-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxopyran-2-carboxamide?
The canonical SMILES for 6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxopyran-2-carboxamide is Cc1cc(=O)cc(C(=O)NC(C)C2CCN(C)CC2)o1.
What is the InChIKey of 6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxopyran-2-carboxamide?
The InChIKey is SLLPSBFHZLDYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-8-13(18)9-14(20-10)15(19)16-11(2)12-4-6-17(3)7-5-12/h8-9,11-12H,4-7H2,1-3H3,(H,16,19).
What are the key properties of 6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxopyran-2-carboxamide?
6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxopyran-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-4-oxopyran-2-carboxamide is sourced from PubChem (CID 91774922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).