[3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone

C20H27N5O2 — CID 95188449

IUPAC[3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone
SMILESCc1cccc(C)c1OC1CN(C(=O)c2cn(C[C@@H]3CCCNC3)nn2)C1
InChIInChI=1S/C20H27N5O2/c1-14-5-3-6-15(2)19(14)27-17-11-24(12-17)20(26)18-13-25(23-22-18)10-16-7-4-8-21-9-16/h3,5-6,13,16-17,21H,4,7-12H2,1-2H3/t16-/m1/s1
InChIKeyUJUSWIOAZFJUQT-MRXNPFEDSA-N
MW369.47 g/mol
LogP1.80
Rot. Bonds5

About [3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone

[3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone (PubChem CID 95188449) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone
PubChem CID95188449
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone
SMILESCc1cccc(C)c1OC1CN(C(=O)c2cn(C[C@@H]3CCCNC3)nn2)C1
InChIInChI=1S/C20H27N5O2/c1-14-5-3-6-15(2)19(14)27-17-11-24(12-17)20(26)18-13-25(23-22-18)10-16-7-4-8-21-9-16/h3,5-6,13,16-17,21H,4,7-12H2,1-2H3/t16-/m1/s1
InChIKeyUJUSWIOAZFJUQT-MRXNPFEDSA-N
XLogP1.80
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone with MolForge

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Related Compounds

[3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]methanone
CID 95188450
ethyl (1S,5R)-3-[1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 98276944
4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide
CID 95203259
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 50980745
(3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone
CID 56722676
[1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 99938250
N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95211615
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 131925378
N-(2-indol-1-ylethyl)-N-methyl-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95123127
N-(furan-2-ylmethyl)-N-(2-methylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95189176
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95218053
N-(3-phenylsulfanylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 99959733

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone?
The IUPAC name of [3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone (CID 95188449) is [3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone.
What is the SMILES notation for [3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone?
The canonical SMILES for [3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone is Cc1cccc(C)c1OC1CN(C(=O)c2cn(C[C@@H]3CCCNC3)nn2)C1.
What is the InChIKey of [3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone?
The InChIKey is UJUSWIOAZFJUQT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-5-3-6-15(2)19(14)27-17-11-24(12-17)20(26)18-13-25(23-22-18)10-16-7-4-8-21-9-16/h3,5-6,13,16-17,21H,4,7-12H2,1-2H3/t16-/m1/s1.
What are the key properties of [3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone?
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone is sourced from PubChem (CID 95188449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).