[2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone

C19H20N2O4 — CID 162638191

IUPAC[2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1cc2c(cc1-c1ncccc1C(=O)N1CCCCC1)OCO2
InChIInChI=1S/C19H20N2O4/c1-23-15-11-17-16(24-12-25-17)10-14(15)18-13(6-5-7-20-18)19(22)21-8-3-2-4-9-21/h5-7,10-11H,2-4,8-9,12H2,1H3
InChIKeyMRDWILMPYQEAEP-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.11
Rot. Bonds3

About [2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone

[2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 162638191) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID162638191
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1cc2c(cc1-c1ncccc1C(=O)N1CCCCC1)OCO2
InChIInChI=1S/C19H20N2O4/c1-23-15-11-17-16(24-12-25-17)10-14(15)18-13(6-5-7-20-18)19(22)21-8-3-2-4-9-21/h5-7,10-11H,2-4,8-9,12H2,1H3
InChIKeyMRDWILMPYQEAEP-UHFFFAOYSA-N
XLogP3.11
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74230165
[2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74249651
[2-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74242509
[2-[2-(2-methylpropoxy)phenyl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 74244180
[2-(3,4-dimethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1431769
[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56884668
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
azepan-1-yl-[1-[2-(2-methylphenyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 46390269
2-(6-methoxy-1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylethanone
CID 170759940
1,3-benzodioxol-5-yl-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543812
[2-(4-methylsulfonylphenyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74242283
[2-(5-amino-3-pyridinyl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 74240099

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone (CID 162638191) is [2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone is COc1cc2c(cc1-c1ncccc1C(=O)N1CCCCC1)OCO2.
What is the InChIKey of [2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is MRDWILMPYQEAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-15-11-17-16(24-12-25-17)10-14(15)18-13(6-5-7-20-18)19(22)21-8-3-2-4-9-21/h5-7,10-11H,2-4,8-9,12H2,1H3.
What are the key properties of [2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone?
[2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 340.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxy-1,3-benzodioxol-5-yl)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 162638191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).