N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide

C16H22N2O3 — CID 110752384

IUPACN-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H22N2O3/c1-17(9-10-18-7-3-2-4-8-18)16(19)13-5-6-14-15(11-13)21-12-20-14/h5-6,11H,2-4,7-10,12H2,1H3
InChIKeyJLOMPVIIJMUYSO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.97
Rot. Bonds4

About N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide

N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 110752384) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide
PubChem CID110752384
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide
SMILESCN(CCN1CCCCC1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H22N2O3/c1-17(9-10-18-7-3-2-4-8-18)16(19)13-5-6-14-15(11-13)21-12-20-14/h5-6,11H,2-4,7-10,12H2,1H3
InChIKeyJLOMPVIIJMUYSO-UHFFFAOYSA-N
XLogP1.97
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 39245580
3-hydroxy-4-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 104628289
N-(chloromethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 10331338
4-[1,3-benzodioxole-5-carbonyl(methyl)amino]butanoic acid
CID 43090104
N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397
methyl 3-[1,3-benzodioxole-5-carbonyl(methyl)amino]propanoate
CID 54980166
N,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)quinoxaline-6-carboxamide
CID 110753524
N-(cyclohex-3-en-1-ylmethyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 42780839
N-methyl-N-(6-piperidin-1-ylhexyl)-1,3-benzodioxol-5-amine
CID 110452723
2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 63207878
4-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123169079
N-methyl-5-(morpholin-4-ylmethyl)-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 123601424

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide (CID 110752384) is N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide is CN(CCN1CCCCC1)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is JLOMPVIIJMUYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-17(9-10-18-7-3-2-4-8-18)16(19)13-5-6-14-15(11-13)21-12-20-14/h5-6,11H,2-4,7-10,12H2,1H3.
What are the key properties of N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide?
N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110752384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).