N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide

C14H16N6O4 — CID 162637516

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide
SMILESCn1nnc(C2CN(C(=O)Nc3ccc4c(c3)OCO4)CCO2)n1
InChIInChI=1S/C14H16N6O4/c1-19-17-13(16-18-19)12-7-20(4-5-22-12)14(21)15-9-2-3-10-11(6-9)24-8-23-10/h2-3,6,12H,4-5,7-8H2,1H3,(H,15,21)
InChIKeyWYPPEPGTSZWFRO-UHFFFAOYSA-N
MW332.32 g/mol
LogP0.54
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide (PubChem CID 162637516) has the molecular formula C14H16N6O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide
PubChem CID162637516
Molecular FormulaC14H16N6O4
Molecular Weight332.32 g/mol
Exact Mass332.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide
SMILESCn1nnc(C2CN(C(=O)Nc3ccc4c(c3)OCO4)CCO2)n1
InChIInChI=1S/C14H16N6O4/c1-19-17-13(16-18-19)12-7-20(4-5-22-12)14(21)15-9-2-3-10-11(6-9)24-8-23-10/h2-3,6,12H,4-5,7-8H2,1H3,(H,15,21)
InChIKeyWYPPEPGTSZWFRO-UHFFFAOYSA-N
XLogP0.54
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide
CID 97105209
N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide
CID 155496538
(1-methylimidazol-2-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014614
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
N-(1,3-benzodioxol-5-yl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 970148
N-(1,3-benzodioxol-5-yl)-4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 121115047
(3R,4R)-N-(1,3-benzodioxol-5-yl)-3-fluoro-4-hydroxypyrrolidine-1-carboxamide
CID 131923741
1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 43318323
N-(1,3-benzodioxol-5-yl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122335144
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide
CID 163339502
(3aR,7aS)-N-(1,3-benzodioxol-5-yl)-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
CID 97260691
N-(1,3-benzodioxol-5-yl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334562

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide (CID 162637516) is N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide is Cn1nnc(C2CN(C(=O)Nc3ccc4c(c3)OCO4)CCO2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide?
The InChIKey is WYPPEPGTSZWFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O4/c1-19-17-13(16-18-19)12-7-20(4-5-22-12)14(21)15-9-2-3-10-11(6-9)24-8-23-10/h2-3,6,12H,4-5,7-8H2,1H3,(H,15,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide is sourced from PubChem (CID 162637516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).