[1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone

C22H31N5O3 — CID 42500161

IUPAC[1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CN2CCC[C@@H](n3cc(C(=O)N4CCOCC4)nn3)C2)c(C)c1C
InChIInChI=1S/C22H31N5O3/c1-16-17(2)21(29-3)7-6-18(16)13-25-8-4-5-19(14-25)27-15-20(23-24-27)22(28)26-9-11-30-12-10-26/h6-7,15,19H,4-5,8-14H2,1-3H3/t19-/m1/s1
InChIKeyRBEYYFCNXYTUPG-LJQANCHMSA-N
MW413.52 g/mol
LogP2.21
Rot. Bonds5

About [1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone

[1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 42500161) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is [1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone
PubChem CID42500161
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name[1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CN2CCC[C@@H](n3cc(C(=O)N4CCOCC4)nn3)C2)c(C)c1C
InChIInChI=1S/C22H31N5O3/c1-16-17(2)21(29-3)7-6-18(16)13-25-8-4-5-19(14-25)27-15-20(23-24-27)22(28)26-9-11-30-12-10-26/h6-7,15,19H,4-5,8-14H2,1-3H3/t19-/m1/s1
InChIKeyRBEYYFCNXYTUPG-LJQANCHMSA-N
XLogP2.21
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

piperidin-1-yl-[1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone
CID 45166683
morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
CID 45249044
[1-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42272938
N-cyclopentyl-1-[(3R)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26332983
[1-[(3S)-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42247558
[1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42319702
[1-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45165944
N-(2-hydroxyethyl)-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45252092
[1-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45240301
methyl 1-[(3R)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxylate
CID 124874715
(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine
CID 26458710
[1-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 26351120

Frequently Asked Questions

What is the IUPAC name of [1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone (CID 42500161) is [1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone is COc1ccc(CN2CCC[C@@H](n3cc(C(=O)N4CCOCC4)nn3)C2)c(C)c1C.
What is the InChIKey of [1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is RBEYYFCNXYTUPG-LJQANCHMSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-16-17(2)21(29-3)7-6-18(16)13-25-8-4-5-19(14-25)27-15-20(23-24-27)22(28)26-9-11-30-12-10-26/h6-7,15,19H,4-5,8-14H2,1-3H3/t19-/m1/s1.
What are the key properties of [1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone?
[1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 413.52 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42500161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).