[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone

C18H21N3O3 — CID 110336870

IUPAC[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)n(C)n2)C1
InChIInChI=1S/C18H21N3O3/c1-12-4-3-7-21(10-12)18(22)14-9-15(20(2)19-14)13-5-6-16-17(8-13)24-11-23-16/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3
InChIKeyRYYCWUQIRGMPGY-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.69
Rot. Bonds2

About [5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone

[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 110336870) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID110336870
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)n(C)n2)C1
InChIInChI=1S/C18H21N3O3/c1-12-4-3-7-21(10-12)18(22)14-9-15(20(2)19-14)13-5-6-16-17(8-13)24-11-23-16/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3
InChIKeyRYYCWUQIRGMPGY-UHFFFAOYSA-N
XLogP2.69
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]pyrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 29097980
[4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218171
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 43012605
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-3-yl]ethanone
CID 82132469
5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 110336840
7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
CID 110616137
1,3-benzodioxol-5-yl-(4-methylazepan-1-yl)methanone
CID 84582371
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 110336883
5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336889
5-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 110336837
[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110372815
[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218172

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone (CID 110336870) is [5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)n(C)n2)C1.
What is the InChIKey of [5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is RYYCWUQIRGMPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-4-3-7-21(10-12)18(22)14-9-15(20(2)19-14)13-5-6-16-17(8-13)24-11-23-16/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3.
What are the key properties of [5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone?
[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 327.38 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110336870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).