N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide

C22H24N2O6 — CID 108557265

IUPACN-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)c1
InChIInChI=1S/C22H24N2O6/c1-27-17-9-15(10-18(12-17)28-2)22(26)24-7-5-16(6-8-24)23-21(25)14-3-4-19-20(11-14)30-13-29-19/h3-4,9-12,16H,5-8,13H2,1-2H3,(H,23,25)
InChIKeyMZQDZPANJUTSGG-UHFFFAOYSA-N
MW412.44 g/mol
LogP2.47
Rot. Bonds5

About N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide

N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 108557265) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID108557265
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC NameN-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)c1
InChIInChI=1S/C22H24N2O6/c1-27-17-9-15(10-18(12-17)28-2)22(26)24-7-5-16(6-8-24)23-21(25)14-3-4-19-20(11-14)30-13-29-19/h3-4,9-12,16H,5-8,13H2,1-2H3,(H,23,25)
InChIKeyMZQDZPANJUTSGG-UHFFFAOYSA-N
XLogP2.47
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
CID 110821565
methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate
CID 110821823
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557334
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-ethoxybenzamide
CID 108551927
[4-[4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108557245
2-[4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083315
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558147
[4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108548636
N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557309
N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 51194544
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 110821561
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557321

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide (CID 108557265) is N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)c1.
What is the InChIKey of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is MZQDZPANJUTSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-27-17-9-15(10-18(12-17)28-2)22(26)24-7-5-16(6-8-24)23-21(25)14-3-4-19-20(11-14)30-13-29-19/h3-4,9-12,16H,5-8,13H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 412.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 108557265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).