(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone

C14H19NO2 — CID 122545527

IUPAC(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
SMILESCOC1CCCN(C(=O)c2cccc(C)c2)C1
InChIInChI=1S/C14H19NO2/c1-11-5-3-6-12(9-11)14(16)15-8-4-7-13(10-15)17-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3
InChIKeyIGCWBAVAENSSMF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.25
Rot. Bonds2

About (3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone

(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone (PubChem CID 122545527) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
PubChem CID122545527
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
SMILESCOC1CCCN(C(=O)c2cccc(C)c2)C1
InChIInChI=1S/C14H19NO2/c1-11-5-3-6-12(9-11)14(16)15-8-4-7-13(10-15)17-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3
InChIKeyIGCWBAVAENSSMF-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate
CID 75369442
[(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone
CID 126440210
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
[(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 125165088
[(3S)-3-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-(3-methylphenyl)methanone
CID 93223584
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(3-methylphenyl)methanone
CID 122268002
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038

Frequently Asked Questions

What is the IUPAC name of (3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone?
The IUPAC name of (3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone (CID 122545527) is (3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone is COC1CCCN(C(=O)c2cccc(C)c2)C1.
What is the InChIKey of (3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone?
The InChIKey is IGCWBAVAENSSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-5-3-6-12(9-11)14(16)15-8-4-7-13(10-15)17-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3.
What are the key properties of (3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone?
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 122545527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).