2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C21H24N2O3 — CID 55464601

IUPAC2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1Oc2ccccc2OC1C(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C21H24N2O3/c1-15-20(26-19-12-6-5-11-18(19)25-15)21(24)22-16-9-3-4-10-17(16)23-13-7-2-8-14-23/h3-6,9-12,15,20H,2,7-8,13-14H2,1H3,(H,22,24)
InChIKeyNLMMDNAGABUOHK-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.84
Rot. Bonds3

About 2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 55464601) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID55464601
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1Oc2ccccc2OC1C(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C21H24N2O3/c1-15-20(26-19-12-6-5-11-18(19)25-15)21(24)22-16-9-3-4-10-17(16)23-13-7-2-8-14-23/h3-6,9-12,15,20H,2,7-8,13-14H2,1H3,(H,22,24)
InChIKeyNLMMDNAGABUOHK-UHFFFAOYSA-N
XLogP3.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 51931889
2-[(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]benzoic acid
CID 2991809
azepan-1-yl-[(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 94061459
azepan-1-yl-[(2R,3S)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 94061458
2-[[(2S,3S)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]benzoate
CID 7246501
2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974434
(2R,3S)-2-methyl-N-(2-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7379074
1-N,3-N-bis(2-pyrrolidin-1-ylphenyl)cyclohexane-1,3-dicarboxamide
CID 60596479
(3R)-1-oxo-N-(2-piperidin-1-ylphenyl)-3,4-dihydroisochromene-3-carboxamide
CID 25409056
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
5-chloro-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46616235
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 55464601) is 2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC1Oc2ccccc2OC1C(=O)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is NLMMDNAGABUOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-20(26-19-12-6-5-11-18(19)25-15)21(24)22-16-9-3-4-10-17(16)23-13-7-2-8-14-23/h3-6,9-12,15,20H,2,7-8,13-14H2,1H3,(H,22,24).
What are the key properties of 2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 55464601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).