(2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine

C16H20N4O3 — CID 129331530

IUPAC(2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
SMILESCCn1cnnc1[C@H]1CN(Cc2cccc3c2OCO3)CCO1
InChIInChI=1S/C16H20N4O3/c1-2-20-10-17-18-16(20)14-9-19(6-7-21-14)8-12-4-3-5-13-15(12)23-11-22-13/h3-5,10,14H,2,6-9,11H2,1H3/t14-/m1/s1
InChIKeyCFNIQXMGVJOENC-CQSZACIVSA-N
MW316.36 g/mol
LogP1.60
Rot. Bonds4

About (2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine

(2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 129331530) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
PubChem CID129331530
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
SMILESCCn1cnnc1[C@H]1CN(Cc2cccc3c2OCO3)CCO1
InChIInChI=1S/C16H20N4O3/c1-2-20-10-17-18-16(20)14-9-19(6-7-21-14)8-12-4-3-5-13-15(12)23-11-22-13/h3-5,10,14H,2,6-9,11H2,1H3/t14-/m1/s1
InChIKeyCFNIQXMGVJOENC-CQSZACIVSA-N
XLogP1.60
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine 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

(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159
(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129338594
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine
CID 129332140
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 128997862
5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile
CID 129340117
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 129340570
4-[[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-3-methoxybenzonitrile
CID 129335963
4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129001246
(2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129332069
1,3-benzodioxol-5-yl-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129339118
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(3-propan-2-yloxypropyl)morpholine
CID 129335737
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine
CID 128996126

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine (CID 129331530) is (2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine is CCn1cnnc1[C@H]1CN(Cc2cccc3c2OCO3)CCO1.
What is the InChIKey of (2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is CFNIQXMGVJOENC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-20-10-17-18-16(20)14-9-19(6-7-21-14)8-12-4-3-5-13-15(12)23-11-22-13/h3-5,10,14H,2,6-9,11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
(2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 316.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 129331530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).