[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C18H23N3O3 — CID 56879058

IUPAC[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCOc1cccc(OCC2CCCN(C(=O)c3cc(C)[nH]n3)C2)c1
InChIInChI=1S/C18H23N3O3/c1-13-9-17(20-19-13)18(22)21-8-4-5-14(11-21)12-24-16-7-3-6-15(10-16)23-2/h3,6-7,9-10,14H,4-5,8,11-12H2,1-2H3,(H,19,20)
InChIKeyIFLVMMBUOXNENJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.66
Rot. Bonds5

About [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 56879058) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID56879058
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCOc1cccc(OCC2CCCN(C(=O)c3cc(C)[nH]n3)C2)c1
InChIInChI=1S/C18H23N3O3/c1-13-9-17(20-19-13)18(22)21-8-4-5-14(11-21)12-24-16-7-3-6-15(10-16)23-2/h3,6-7,9-10,14H,4-5,8,11-12H2,1-2H3,(H,19,20)
InChIKeyIFLVMMBUOXNENJ-UHFFFAOYSA-N
XLogP2.66
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone
CID 45191198
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70741775
[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 95726991
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
CID 126433367
(3-aminopiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119378378
imidazo[1,2-a]pyridin-3-yl-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 70748196
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 42289354
N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 56745555
[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 94979993
ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638519
2-(3-hydroxyphenyl)-1-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 95894928

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 56879058) is [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is COc1cccc(OCC2CCCN(C(=O)c3cc(C)[nH]n3)C2)c1.
What is the InChIKey of [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is IFLVMMBUOXNENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-9-17(20-19-13)18(22)21-8-4-5-14(11-21)12-24-16-7-3-6-15(10-16)23-2/h3,6-7,9-10,14H,4-5,8,11-12H2,1-2H3,(H,19,20).
What are the key properties of [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 56879058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).