N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide

C15H20N2O3 — CID 114699978

IUPACN-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCC1CNCCC1CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O3/c1-10-7-16-5-4-12(10)8-17-15(18)11-2-3-13-14(6-11)20-9-19-13/h2-3,6,10,12,16H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyCCEGDPNHDDJXQW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.39
Rot. Bonds3

About N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide

N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 114699978) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID114699978
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCC1CNCCC1CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O3/c1-10-7-16-5-4-12(10)8-17-15(18)11-2-3-13-14(6-11)20-9-19-13/h2-3,6,10,12,16H,4-5,7-9H2,1H3,(H,17,18)
InChIKeyCCEGDPNHDDJXQW-UHFFFAOYSA-N
XLogP1.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 120944561
N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
N-[(4-hydroxycyclohexyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 106123022
N-[[2-(bromomethyl)cyclohexyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 114317356
3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114700030
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 120943158
2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114699962
N-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 43523228
2-(1,3-benzodioxol-5-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271866
3-fluoro-4-methyl-N-[(4-methylpiperidin-3-yl)methyl]benzamide
CID 114955798
2-fluoro-4-methoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 102882405
N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide
CID 120651877

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 114699978) is N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide is CC1CNCCC1CNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is CCEGDPNHDDJXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-7-16-5-4-12(10)8-17-15(18)11-2-3-13-14(6-11)20-9-19-13/h2-3,6,10,12,16H,4-5,7-9H2,1H3,(H,17,18).
What are the key properties of N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 114699978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).