N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C14H18N2O3 — CID 71645408

IUPACN-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(NCC1CCNC1)c1cccc2c1OCCO2
InChIInChI=1S/C14H18N2O3/c17-14(16-9-10-4-5-15-8-10)11-2-1-3-12-13(11)19-7-6-18-12/h1-3,10,15H,4-9H2,(H,16,17)
InChIKeyXDRRLVBCMWZTGD-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.80
Rot. Bonds3

About N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 71645408) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID71645408
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(NCC1CCNC1)c1cccc2c1OCCO2
InChIInChI=1S/C14H18N2O3/c17-14(16-9-10-4-5-15-8-10)11-2-1-3-12-13(11)19-7-6-18-12/h1-3,10,15H,4-9H2,(H,16,17)
InChIKeyXDRRLVBCMWZTGD-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60902424
N-[(3-hydroxycyclobutyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 66004684
N-[(3-chlorocyclohexyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 106132192
N-[2-(cyclopropylmethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 67449687
N-[(2-hydroxycyclohexyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 64911942
3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 81267075
2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 80564171
N-[2-(cyclopropylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 55100680
N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 6927860
N-(pyrrolidin-3-ylmethyl)-1H-indole-7-carboxamide
CID 80564493
2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564481
2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone
CID 90477242

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 71645408) is N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is O=C(NCC1CCNC1)c1cccc2c1OCCO2.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is XDRRLVBCMWZTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-14(16-9-10-4-5-15-8-10)11-2-1-3-12-13(11)19-7-6-18-12/h1-3,10,15H,4-9H2,(H,16,17).
What are the key properties of N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 71645408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).