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

C18H23N3O4 — CID 45191198

IUPAC[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOc1cccc(OCc2cc(C(=O)N3CCCC(OC)C3)n[nH]2)c1
InChIInChI=1S/C18H23N3O4/c1-23-14-5-3-6-15(10-14)25-12-13-9-17(20-19-13)18(22)21-8-4-7-16(11-21)24-2/h3,5-6,9-10,16H,4,7-8,11-12H2,1-2H3,(H,19,20)
InChIKeyPCXVTRQUUIQOSC-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.25
Rot. Bonds6

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

[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone (PubChem CID 45191198) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is [5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone
PubChem CID45191198
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOc1cccc(OCc2cc(C(=O)N3CCCC(OC)C3)n[nH]2)c1
InChIInChI=1S/C18H23N3O4/c1-23-14-5-3-6-15(10-14)25-12-13-9-17(20-19-13)18(22)21-8-4-7-16(11-21)24-2/h3,5-6,9-10,16H,4,7-8,11-12H2,1-2H3,(H,19,20)
InChIKeyPCXVTRQUUIQOSC-UHFFFAOYSA-N
XLogP2.25
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 56745555
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56879058
ethyl 4-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 42591314
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 95217455
[3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 45174429
[(3S)-3-hydroxypyrrolidin-1-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-yl]methanone
CID 56856200
[5-(1,3-benzodioxol-5-yloxymethyl)-1H-pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 45238640
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
(3S)-1-[5-[(3-acetylphenoxy)methyl]-1H-pyrazole-3-carbonyl]-N-methylpyrrolidine-3-carboxamide
CID 95211608
[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
(5-butyl-1H-pyrazol-3-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 124952028
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95191517

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of [5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone (CID 45191198) is [5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone is COc1cccc(OCc2cc(C(=O)N3CCCC(OC)C3)n[nH]2)c1.
What is the InChIKey of [5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is PCXVTRQUUIQOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-23-14-5-3-6-15(10-14)25-12-13-9-17(20-19-13)18(22)21-8-4-7-16(11-21)24-2/h3,5-6,9-10,16H,4,7-8,11-12H2,1-2H3,(H,19,20).
What are the key properties of [5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone?
[5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 345.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 45191198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).