[2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone

C20H27N3O2 — CID 70712326

IUPAC[2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cccc(C2CCCCN2C(=O)c2cc(C(C)C)nn2C)c1
InChIInChI=1S/C20H27N3O2/c1-14(2)17-13-19(22(3)21-17)20(24)23-11-6-5-10-18(23)15-8-7-9-16(12-15)25-4/h7-9,12-14,18H,5-6,10-11H2,1-4H3
InChIKeyRQMBQKAWJQKXNR-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.92
Rot. Bonds4

About [2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone

[2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 70712326) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
PubChem CID70712326
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name[2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cccc(C2CCCCN2C(=O)c2cc(C(C)C)nn2C)c1
InChIInChI=1S/C20H27N3O2/c1-14(2)17-13-19(22(3)21-17)20(24)23-11-6-5-10-18(23)15-8-7-9-16(12-15)25-4/h7-9,12-14,18H,5-6,10-11H2,1-4H3
InChIKeyRQMBQKAWJQKXNR-UHFFFAOYSA-N
XLogP3.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 124948650
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 96580017
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
6-[2-(3-methoxyphenyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70774580
5-[(2S)-2-(3-methoxyphenyl)piperidine-1-carbonyl]-1,2-oxazol-3-one
CID 99944641
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928860
(1,5-dimethylpyrrol-2-yl)-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928859
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
[2-(3-methoxyphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 56898380
(2-iodophenyl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 51929591

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of [2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone (CID 70712326) is [2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for [2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for [2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone is COc1cccc(C2CCCCN2C(=O)c2cc(C(C)C)nn2C)c1.
What is the InChIKey of [2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is RQMBQKAWJQKXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)17-13-19(22(3)21-17)20(24)23-11-6-5-10-18(23)15-8-7-9-16(12-15)25-4/h7-9,12-14,18H,5-6,10-11H2,1-4H3.
What are the key properties of [2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
[2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 341.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 70712326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).