N-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C23H26N2O5 — CID 171913875

IUPACN-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOC1CCN(C(=O)c2ccc(C)c(NC(=O)C3COc4ccccc4O3)c2)CC1
InChIInChI=1S/C23H26N2O5/c1-15-7-8-16(23(27)25-11-9-17(28-2)10-12-25)13-18(15)24-22(26)21-14-29-19-5-3-4-6-20(19)30-21/h3-8,13,17,21H,9-12,14H2,1-2H3,(H,24,26)
InChIKeyKKUNNXUGXHKHPG-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.02
Rot. Bonds4

About N-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 171913875) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID171913875
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC NameN-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOC1CCN(C(=O)c2ccc(C)c(NC(=O)C3COc4ccccc4O3)c2)CC1
InChIInChI=1S/C23H26N2O5/c1-15-7-8-16(23(27)25-11-9-17(28-2)10-12-25)13-18(15)24-22(26)21-14-29-19-5-3-4-6-20(19)30-21/h3-8,13,17,21H,9-12,14H2,1-2H3,(H,24,26)
InChIKeyKKUNNXUGXHKHPG-UHFFFAOYSA-N
XLogP3.02
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

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Related Compounds

dimethyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 1090616
methyl 4-methyl-3-[[(2R)-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carbonyl]amino]benzoate
CID 93491747
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 51231675
dimethyl 5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)benzene-1,3-dicarboxylate
CID 2998842
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788362
N'-(3-methoxy-4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 46671173
(3-amino-4-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372645
N'-(3,4-dimethylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 42888339
(3S)-N-(4-iodo-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7463996
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 47037614
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-methoxycyclohexane-1-carboxamide
CID 25107185
N-(2-amino-5-methylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 115912259

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 171913875) is N-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is COC1CCN(C(=O)c2ccc(C)c(NC(=O)C3COc4ccccc4O3)c2)CC1.
What is the InChIKey of N-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is KKUNNXUGXHKHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-15-7-8-16(23(27)25-11-9-17(28-2)10-12-25)13-18(15)24-22(26)21-14-29-19-5-3-4-6-20(19)30-21/h3-8,13,17,21H,9-12,14H2,1-2H3,(H,24,26).
What are the key properties of N-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxypiperidine-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 171913875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).