1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone

C16H17N3O3 — CID 95158283

IUPAC1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C16H17N3O3/c20-16(12-4-5-14-15(9-12)22-11-21-14)18-7-1-3-13(10-18)19-8-2-6-17-19/h2,4-6,8-9,13H,1,3,7,10-11H2/t13-/m1/s1
InChIKeyMARAYBOVLUCSIL-CYBMUJFWSA-N
MW299.33 g/mol
LogP2.09
Rot. Bonds2

About 1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone

1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95158283) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
PubChem CID95158283
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C16H17N3O3/c20-16(12-4-5-14-15(9-12)22-11-21-14)18-7-1-3-13(10-18)19-8-2-6-17-19/h2,4-6,8-9,13H,1,3,7,10-11H2/t13-/m1/s1
InChIKeyMARAYBOVLUCSIL-CYBMUJFWSA-N
XLogP2.09
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95272362
(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
1,3-benzodioxol-5-yl-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95338015
5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95282709
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95158590
[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95282730
(5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95281714
(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158589
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312405
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
CID 95383030
[4-(pyrazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95277241
(5-bromothiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158101

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone (CID 95158283) is 1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](n2cccn2)C1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is MARAYBOVLUCSIL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-16(12-4-5-14-15(9-12)22-11-21-14)18-7-1-3-13(10-18)19-8-2-6-17-19/h2,4-6,8-9,13H,1,3,7,10-11H2/t13-/m1/s1.
What are the key properties of 1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 299.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95158283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).