N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide

C17H22N2O3 — CID 91957211

IUPACN-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCC1(CN2CCCC2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H22N2O3/c20-16(13-3-4-14-15(9-13)22-12-21-14)18-10-17(5-6-17)11-19-7-1-2-8-19/h3-4,9H,1-2,5-8,10-12H2,(H,18,20)
InChIKeyYTQOCYXGYRXVAO-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.02
Rot. Bonds5

About N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide

N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 91957211) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID91957211
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCC1(CN2CCCC2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H22N2O3/c20-16(13-3-4-14-15(9-13)22-12-21-14)18-10-17(5-6-17)11-19-7-1-2-8-19/h3-4,9H,1-2,5-8,10-12H2,(H,18,20)
InChIKeyYTQOCYXGYRXVAO-UHFFFAOYSA-N
XLogP2.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 115363867
N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 115267482
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
5-methyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]thiophene-2-carboxamide
CID 91957741
N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 18145771
N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 110752384
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 104972064
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 46965111
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1,3-benzodioxol-5-yl)acetamide
CID 115271331
N-[(4-hydroxyoxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 79037313
N-pent-4-ynyl-1,3-benzodioxole-5-carboxamide
CID 103708735

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide (CID 91957211) is N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide is O=C(NCC1(CN2CCCC2)CC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is YTQOCYXGYRXVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16(13-3-4-14-15(9-13)22-12-21-14)18-10-17(5-6-17)11-19-7-1-2-8-19/h3-4,9H,1-2,5-8,10-12H2,(H,18,20).
What are the key properties of N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide?
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 91957211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).