N-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide

C23H31N3O3S — CID 24732044

IUPACN-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESCN(C)CCN(C(=O)c1ccc2c(c1)OCO2)C1CCN(CCc2cccs2)CC1
InChIInChI=1S/C23H31N3O3S/c1-24(2)13-14-26(23(27)18-5-6-21-22(16-18)29-17-28-21)19-7-10-25(11-8-19)12-9-20-4-3-15-30-20/h3-6,15-16,19H,7-14,17H2,1-2H3
InChIKeyJUNTVMZSAJDNGC-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.19
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide

N-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 24732044) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID24732044
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESCN(C)CCN(C(=O)c1ccc2c(c1)OCO2)C1CCN(CCc2cccs2)CC1
InChIInChI=1S/C23H31N3O3S/c1-24(2)13-14-26(23(27)18-5-6-21-22(16-18)29-17-28-21)19-7-10-25(11-8-19)12-9-20-4-3-15-30-20/h3-6,15-16,19H,7-14,17H2,1-2H3
InChIKeyJUNTVMZSAJDNGC-UHFFFAOYSA-N
XLogP3.19
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 24732030
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 4555589
N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 110752384
N-[1-(3-phenylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 24731200
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 42776366
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 95287975
N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 118877843
ethyl 4-[1,3-benzodioxole-5-carbonyl(methyl)amino]piperidine-1-carboxylate
CID 110866788
N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 72717917
N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 4689838
N-(1,3-benzodioxol-5-yl)-4-(2-thiophen-2-ylethyl)piperazine-1-carbothioamide
CID 5175978
1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
CID 24732159

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide (CID 24732044) is N-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide is CN(C)CCN(C(=O)c1ccc2c(c1)OCO2)C1CCN(CCc2cccs2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is JUNTVMZSAJDNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-24(2)13-14-26(23(27)18-5-6-21-22(16-18)29-17-28-21)19-7-10-25(11-8-19)12-9-20-4-3-15-30-20/h3-6,15-16,19H,7-14,17H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 429.59 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 24732044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).