6-methyl-4-oxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyran-2-carboxamide

C18H25N3O4 — CID 77097679

IUPAC6-methyl-4-oxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC2CCN(C(=O)N3CCCCC3)CC2)o1
InChIInChI=1S/C18H25N3O4/c1-13-11-15(22)12-16(25-13)17(23)19-14-5-9-21(10-6-14)18(24)20-7-3-2-4-8-20/h11-12,14H,2-10H2,1H3,(H,19,23)
InChIKeyJNJGWFRXQRCSHL-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.75
Rot. Bonds2

About 6-methyl-4-oxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyran-2-carboxamide

6-methyl-4-oxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyran-2-carboxamide (PubChem CID 77097679) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyran-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyran-2-carboxamide
PubChem CID77097679
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name6-methyl-4-oxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NC2CCN(C(=O)N3CCCCC3)CC2)o1
InChIInChI=1S/C18H25N3O4/c1-13-11-15(22)12-16(25-13)17(23)19-14-5-9-21(10-6-14)18(24)20-7-3-2-4-8-20/h11-12,14H,2-10H2,1H3,(H,19,23)
InChIKeyJNJGWFRXQRCSHL-UHFFFAOYSA-N
XLogP1.75
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyran-2-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyran-2-carboxamide (CID 77097679) is 6-methyl-4-oxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyran-2-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyran-2-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyran-2-carboxamide is Cc1cc(=O)cc(C(=O)NC2CCN(C(=O)N3CCCCC3)CC2)o1.
What is the InChIKey of 6-methyl-4-oxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyran-2-carboxamide?
The InChIKey is JNJGWFRXQRCSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-13-11-15(22)12-16(25-13)17(23)19-14-5-9-21(10-6-14)18(24)20-7-3-2-4-8-20/h11-12,14H,2-10H2,1H3,(H,19,23).
What are the key properties of 6-methyl-4-oxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyran-2-carboxamide?
6-methyl-4-oxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyran-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[1-(piperidine-1-carbonyl)piperidin-4-yl]pyran-2-carboxamide is sourced from PubChem (CID 77097679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).