[2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

C18H23N3O2 — CID 71926806

IUPAC[2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCOCc1ccccc1C(=O)N1CCCC(c2cc(C)[nH]n2)C1
InChIInChI=1S/C18H23N3O2/c1-13-10-17(20-19-13)14-7-5-9-21(11-14)18(22)16-8-4-3-6-15(16)12-23-2/h3-4,6,8,10,14H,5,7,9,11-12H2,1-2H3,(H,19,20)
InChIKeyIQHQCNXIAVJBLY-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.88
Rot. Bonds4

About [2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

[2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 71926806) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID71926806
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCOCc1ccccc1C(=O)N1CCCC(c2cc(C)[nH]n2)C1
InChIInChI=1S/C18H23N3O2/c1-13-10-17(20-19-13)14-7-5-9-21(11-14)18(22)16-8-4-3-6-15(16)12-23-2/h3-4,6,8,10,14H,5,7,9,11-12H2,1-2H3,(H,19,20)
InChIKeyIQHQCNXIAVJBLY-UHFFFAOYSA-N
XLogP2.88
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2,3,5,6-tetramethylbenzamide
CID 46989362
[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 53626924
[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 56779799
2-(2-methoxyphenyl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926715
(3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926871
5-[1-[3-(2-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 72121259
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 75470400
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone
CID 118741515
1-(4-ethylbenzoyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 71839683
1-(2,5-dimethylbenzoyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 71839684
4-(2-Methoxyethyl)-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine
CID 53150909
N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-4-(3-pyrrolidinyl)benzamide
CID 56907719

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (CID 71926806) is [2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is COCc1ccccc1C(=O)N1CCCC(c2cc(C)[nH]n2)C1.
What is the InChIKey of [2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is IQHQCNXIAVJBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-10-17(20-19-13)14-7-5-9-21(11-14)18(22)16-8-4-3-6-15(16)12-23-2/h3-4,6,8,10,14H,5,7,9,11-12H2,1-2H3,(H,19,20).
What are the key properties of [2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
[2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)phenyl]-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71926806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).