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

C23H28N2O3S — CID 24732030

IUPACN-(cyclopropylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(c1ccc2c(c1)OCO2)N(CC1CC1)C1CCN(CCc2cccs2)CC1
InChIInChI=1S/C23H28N2O3S/c26-23(18-5-6-21-22(14-18)28-16-27-21)25(15-17-3-4-17)19-7-10-24(11-8-19)12-9-20-2-1-13-29-20/h1-2,5-6,13-14,17,19H,3-4,7-12,15-16H2
InChIKeyBMZJBQFWOJEBAS-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.04
Rot. Bonds7

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

N-(cyclopropylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 24732030) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID24732030
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN-(cyclopropylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(c1ccc2c(c1)OCO2)N(CC1CC1)C1CCN(CCc2cccs2)CC1
InChIInChI=1S/C23H28N2O3S/c26-23(18-5-6-21-22(14-18)28-16-27-21)25(15-17-3-4-17)19-7-10-24(11-8-19)12-9-20-2-1-13-29-20/h1-2,5-6,13-14,17,19H,3-4,7-12,15-16H2
InChIKeyBMZJBQFWOJEBAS-UHFFFAOYSA-N
XLogP4.04
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 24732044
1-(cyclopropylmethyl)-3-propan-2-yl-1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]urea
CID 24732159
N-[1-(3-phenylpropyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 24731200
N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 95287975
N-(1,3-benzodioxol-5-yl)-4-(2-thiophen-2-ylethyl)piperazine-1-carbothioamide
CID 5175978
N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 4689838
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 42776366
N-(1-benzylpiperidin-4-yl)-N-[(3-phenoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42703386
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 4555589
N-cyclopropyl-4-methyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 37484000
1-[4-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110368849
1-(1,3-benzodioxol-5-yl)-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 17437887

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide (CID 24732030) is N-(cyclopropylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide is O=C(c1ccc2c(c1)OCO2)N(CC1CC1)C1CCN(CCc2cccs2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is BMZJBQFWOJEBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c26-23(18-5-6-21-22(14-18)28-16-27-21)25(15-17-3-4-17)19-7-10-24(11-8-19)12-9-20-2-1-13-29-20/h1-2,5-6,13-14,17,19H,3-4,7-12,15-16H2.
What are the key properties of N-(cyclopropylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
N-(cyclopropylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 412.56 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 24732030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).