1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone

C18H18N2O3 — CID 70759267

IUPAC1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCCCC1c1ccccn1
InChIInChI=1S/C18H18N2O3/c21-18(13-7-8-16-17(11-13)23-12-22-16)20-10-4-2-6-15(20)14-5-1-3-9-19-14/h1,3,5,7-9,11,15H,2,4,6,10,12H2
InChIKeyQZHBRBBMNSMPNF-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.18
Rot. Bonds2

About 1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone

1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone (PubChem CID 70759267) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone
PubChem CID70759267
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCCCC1c1ccccn1
InChIInChI=1S/C18H18N2O3/c21-18(13-7-8-16-17(11-13)23-12-22-16)20-10-4-2-6-15(20)14-5-1-3-9-19-14/h1,3,5,7-9,11,15H,2,4,6,10,12H2
InChIKeyQZHBRBBMNSMPNF-UHFFFAOYSA-N
XLogP3.18
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-5-yl-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 41183194
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CID 110103815
1,3-benzodioxol-5-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128991531
1,3-benzodioxol-5-yl-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 129491284
4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 77093447
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95894350
1,3-benzodioxol-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124976475
1,3-benzodioxol-5-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 175652539
1,3-benzodioxol-5-yl-[(2S)-2-[(5-pyridin-2-yltetrazol-2-yl)methyl]pyrrolidin-1-yl]methanone
CID 92577777
(5-methyl-1,3-oxazol-4-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95871537

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone (CID 70759267) is 1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone is O=C(c1ccc2c(c1)OCO2)N1CCCCC1c1ccccn1.
What is the InChIKey of 1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone?
The InChIKey is QZHBRBBMNSMPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-18(13-7-8-16-17(11-13)23-12-22-16)20-10-4-2-6-15(20)14-5-1-3-9-19-14/h1,3,5,7-9,11,15H,2,4,6,10,12H2.
What are the key properties of 1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone?
1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone has a molecular weight of 310.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 70759267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).