[1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone

C26H31N5O2 — CID 25292870

IUPAC[1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1-c1ccc(CN2CCC(n3cc(C(=O)N4CCOCC4)nn3)CC2)cc1
InChIInChI=1S/C26H31N5O2/c1-20-4-2-3-5-24(20)22-8-6-21(7-9-22)18-29-12-10-23(11-13-29)31-19-25(27-28-31)26(32)30-14-16-33-17-15-30/h2-9,19,23H,10-18H2,1H3
InChIKeyRPVFKQBGBZEYOX-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.56
Rot. Bonds5

About [1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone

[1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 25292870) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is [1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone
PubChem CID25292870
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name[1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1-c1ccc(CN2CCC(n3cc(C(=O)N4CCOCC4)nn3)CC2)cc1
InChIInChI=1S/C26H31N5O2/c1-20-4-2-3-5-24(20)22-8-6-21(7-9-22)18-29-12-10-23(11-13-29)31-19-25(27-28-31)26(32)30-14-16-33-17-15-30/h2-9,19,23H,10-18H2,1H3
InChIKeyRPVFKQBGBZEYOX-UHFFFAOYSA-N
XLogP3.56
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone
CID 26322807
N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230197
N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26404892
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119832564
[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42501917
morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
CID 45249044
methyl 4-[[4-[4-(propan-2-ylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 26352779
[1-[(3R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-morpholin-4-ylmethanone
CID 42500161
[1-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42398197
morpholin-4-yl-(1-piperidin-3-yltriazol-4-yl)methanone
CID 102537912
[1-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 26351120
1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26341086

Frequently Asked Questions

What is the IUPAC name of [1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone (CID 25292870) is [1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone is Cc1ccccc1-c1ccc(CN2CCC(n3cc(C(=O)N4CCOCC4)nn3)CC2)cc1.
What is the InChIKey of [1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is RPVFKQBGBZEYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-20-4-2-3-5-24(20)22-8-6-21(7-9-22)18-29-12-10-23(11-13-29)31-19-25(27-28-31)26(32)30-14-16-33-17-15-30/h2-9,19,23H,10-18H2,1H3.
What are the key properties of [1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone?
[1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 445.57 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 25292870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).