[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone

C17H22N4O2 — CID 91938550

IUPAC[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone
SMILESCOc1c(C(=O)N2CCCCC2)nnn1Cc1ccc(C)cc1
InChIInChI=1S/C17H22N4O2/c1-13-6-8-14(9-7-13)12-21-17(23-2)15(18-19-21)16(22)20-10-4-3-5-11-20/h6-9H,3-5,10-12H2,1-2H3
InChIKeyAYRMDPPBPMLAMR-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.27
Rot. Bonds4

About [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone

[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 91938550) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone
PubChem CID91938550
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone
SMILESCOc1c(C(=O)N2CCCCC2)nnn1Cc1ccc(C)cc1
InChIInChI=1S/C17H22N4O2/c1-13-6-8-14(9-7-13)12-21-17(23-2)15(18-19-21)16(22)20-10-4-3-5-11-20/h6-9H,3-5,10-12H2,1-2H3
InChIKeyAYRMDPPBPMLAMR-UHFFFAOYSA-N
XLogP2.27
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone
CID 91938610
[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 91938542
[5-chloro-1-[(4-methylphenyl)methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 91938627
1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide
CID 102551779
(1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 91938600
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone
CID 55902501
methyl 5-chloro-1-[(4-methylphenyl)methyl]triazole-4-carboxylate
CID 170267219
3-(azepane-1-carbonyl)-6-methoxy-1-(4-methylphenyl)pyridazin-4-one
CID 53157732
1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide
CID 91938588
1-[(2-chlorophenyl)methyl]-5-methoxytriazole-4-carboxylic acid;hydrochloride
CID 70416302
methyl 5-(2-aminoethyl)-1-[(4-methylphenyl)methyl]triazole-4-carboxylate
CID 103118104
5-chloro-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 13436393

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone (CID 91938550) is [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone is COc1c(C(=O)N2CCCCC2)nnn1Cc1ccc(C)cc1.
What is the InChIKey of [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is AYRMDPPBPMLAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-6-8-14(9-7-13)12-21-17(23-2)15(18-19-21)16(22)20-10-4-3-5-11-20/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone?
[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 314.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 91938550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).