N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide

C14H18N2O3 — CID 102779033

IUPACN-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C14H18N2O3/c1-9-5-6-15-12(9)14(17)16-7-10-3-2-4-11-13(10)19-8-18-11/h2-4,9,12,15H,5-8H2,1H3,(H,16,17)
InChIKeyKGTFNQQCURCZOE-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.03
Rot. Bonds3

About N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide

N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102779033) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102779033
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C14H18N2O3/c1-9-5-6-15-12(9)14(17)16-7-10-3-2-4-11-13(10)19-8-18-11/h2-4,9,12,15H,5-8H2,1H3,(H,16,17)
InChIKeyKGTFNQQCURCZOE-UHFFFAOYSA-N
XLogP1.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926614
N-(1,3-benzodioxol-4-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892288
N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide
CID 114428687
N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119298906
(2S,4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120639573
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
9-amino-N-(1,3-benzodioxol-4-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987062
N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide
CID 62211455
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide
CID 66238076
N-(1,3-benzodioxol-4-ylmethyl)-2-(methylamino)propanamide
CID 62638983
N-(1,3-benzodioxol-4-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605263

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide (CID 102779033) is N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)NCc1cccc2c1OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is KGTFNQQCURCZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-5-6-15-12(9)14(17)16-7-10-3-2-4-11-13(10)19-8-18-11/h2-4,9,12,15H,5-8H2,1H3,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide?
N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).