1-benzyl-6-methoxypiperidin-2-one

C13H17NO2 — CID 10036374

IUPAC1-benzyl-6-methoxypiperidin-2-one
SMILESCOC1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-16-13-9-5-8-12(15)14(13)10-11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3
InChIKeyNMGHQJBEQCMAHN-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.17
Rot. Bonds3

About 1-benzyl-6-methoxypiperidin-2-one

1-benzyl-6-methoxypiperidin-2-one (PubChem CID 10036374) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-benzyl-6-methoxypiperidin-2-one.

Molecular Properties

Compound Name1-benzyl-6-methoxypiperidin-2-one
PubChem CID10036374
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-benzyl-6-methoxypiperidin-2-one
SMILESCOC1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-16-13-9-5-8-12(15)14(13)10-11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3
InChIKeyNMGHQJBEQCMAHN-UHFFFAOYSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
(6S)-1-benzyl-6-propanoylpiperidin-2-one
CID 134835246
(6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one
CID 101333052
(6R)-1-benzyl-6-prop-2-enylpiperidin-2-one
CID 102262811
(3S)-2-benzyl-6-methoxy-3-methyl-3,6,7,8,9,10-hexahydro-[1,2,4]triazino[1,2-a]diazepine-1,4-dione
CID 132517427
(3R)-2-benzyl-3-methoxy-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 40938680
1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812161
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
CID 141337970
(3aS,9aR)-4-benzyl-1-(2-methoxyacetyl)-2,3,3a,6,7,8,9,9a-octahydropyrrolo[3,2-b]azocin-5-one
CID 110136600
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
(1R,4S,5R)-2-benzyl-5-methoxy-2-azabicyclo[2.2.2]octan-3-one
CID 50937013

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methoxypiperidin-2-one?
The IUPAC name of 1-benzyl-6-methoxypiperidin-2-one (CID 10036374) is 1-benzyl-6-methoxypiperidin-2-one.
What is the SMILES notation for 1-benzyl-6-methoxypiperidin-2-one?
The canonical SMILES for 1-benzyl-6-methoxypiperidin-2-one is COC1CCCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-methoxypiperidin-2-one?
The InChIKey is NMGHQJBEQCMAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13-9-5-8-12(15)14(13)10-11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3.
What are the key properties of 1-benzyl-6-methoxypiperidin-2-one?
1-benzyl-6-methoxypiperidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methoxypiperidin-2-one is sourced from PubChem (CID 10036374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).