5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C23H26N2O5 — CID 17472806

IUPAC5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc2c1OCCO2
InChIInChI=1S/C23H26N2O5/c1-28-19-13-18(14-20-21(19)30-12-11-29-20)22(26)24-15-16-5-7-17(8-6-16)23(27)25-9-3-2-4-10-25/h5-8,13-14H,2-4,9-12,15H2,1H3,(H,24,26)
InChIKeyCFQBHYDKVPMRIX-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.02
Rot. Bonds5

About 5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 17472806) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID17472806
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc2c1OCCO2
InChIInChI=1S/C23H26N2O5/c1-28-19-13-18(14-20-21(19)30-12-11-29-20)22(26)24-15-16-5-7-17(8-6-16)23(27)25-9-3-2-4-10-25/h5-8,13-14H,2-4,9-12,15H2,1H3,(H,24,26)
InChIKeyCFQBHYDKVPMRIX-UHFFFAOYSA-N
XLogP3.02
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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 5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide with MolForge

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Related Compounds

N-benzyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777041
5-methoxy-N'-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 9366364
5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27540023
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860
5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55800919
(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403665
N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051992
5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 9273653
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377
N-[2-(ethylamino)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide;hydrochloride
CID 119509241
5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 34748281
N-cyclohexyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777048

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 17472806) is 5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1cc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc2c1OCCO2.
What is the InChIKey of 5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is CFQBHYDKVPMRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-28-19-13-18(14-20-21(19)30-12-11-29-20)22(26)24-15-16-5-7-17(8-6-16)23(27)25-9-3-2-4-10-25/h5-8,13-14H,2-4,9-12,15H2,1H3,(H,24,26).
What are the key properties of 5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 17472806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).