5-(1-acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one

C14H18N2O3 — CID 122689034

IUPAC5-(1-acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one
SMILESCC(=O)N1CCC(C(=O)c2ccc(=O)n(C)c2)CC1
InChIInChI=1S/C14H18N2O3/c1-10(17)16-7-5-11(6-8-16)14(19)12-3-4-13(18)15(2)9-12/h3-4,9,11H,5-8H2,1-2H3
InChIKeyRSYFOMRBLWSRMQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.83
Rot. Bonds2

About 5-(1-acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one

5-(1-acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one (PubChem CID 122689034) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(1-acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(1-acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one
PubChem CID122689034
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-(1-acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one
SMILESCC(=O)N1CCC(C(=O)c2ccc(=O)n(C)c2)CC1
InChIInChI=1S/C14H18N2O3/c1-10(17)16-7-5-11(6-8-16)14(19)12-3-4-13(18)15(2)9-12/h3-4,9,11H,5-8H2,1-2H3
InChIKeyRSYFOMRBLWSRMQ-UHFFFAOYSA-N
XLogP0.83
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 67993079
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CID 122689406
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CID 123619828
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CID 123637861
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CID 126486898
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CID 129066236
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CID 131965577
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CID 141118852
CID 141118852

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one?
The IUPAC name of 5-(1-acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one (CID 122689034) is 5-(1-acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(1-acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one?
The canonical SMILES for 5-(1-acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one is CC(=O)N1CCC(C(=O)c2ccc(=O)n(C)c2)CC1.
What is the InChIKey of 5-(1-acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one?
The InChIKey is RSYFOMRBLWSRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(17)16-7-5-11(6-8-16)14(19)12-3-4-13(18)15(2)9-12/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 5-(1-acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one?
5-(1-acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one has a molecular weight of 262.31 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylpiperidine-4-carbonyl)-1-methylpyridin-2-one is sourced from PubChem (CID 122689034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).