4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one

C13H18N2O3 — CID 113231198

IUPAC4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
SMILESCOC1CCCN(C(=O)c2ccn(C)c(=O)c2)C1
InChIInChI=1S/C13H18N2O3/c1-14-7-5-10(8-12(14)16)13(17)15-6-3-4-11(9-15)18-2/h5,7-8,11H,3-4,6,9H2,1-2H3
InChIKeyCEHNTUKLUFTFAH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.64
Rot. Bonds2

About 4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one

4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one (PubChem CID 113231198) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
PubChem CID113231198
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
SMILESCOC1CCCN(C(=O)c2ccn(C)c(=O)c2)C1
InChIInChI=1S/C13H18N2O3/c1-14-7-5-10(8-12(14)16)13(17)15-6-3-4-11(9-15)18-2/h5,7-8,11H,3-4,6,9H2,1-2H3
InChIKeyCEHNTUKLUFTFAH-UHFFFAOYSA-N
XLogP0.64
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 47736704
4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793640
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793684
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 79411364
4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 99833065
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038
(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 103644623
4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113263748
4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 103709456
methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate
CID 75369442
1-[5-[(3R)-3-methoxypiperidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 97141117

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one?
The IUPAC name of 4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one (CID 113231198) is 4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one is COC1CCCN(C(=O)c2ccn(C)c(=O)c2)C1.
What is the InChIKey of 4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one?
The InChIKey is CEHNTUKLUFTFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-14-7-5-10(8-12(14)16)13(17)15-6-3-4-11(9-15)18-2/h5,7-8,11H,3-4,6,9H2,1-2H3.
What are the key properties of 4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one?
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one is sourced from PubChem (CID 113231198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).