[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone

C18H24N4O2 — CID 91938542

IUPAC[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1c(C(=O)N2CCC(C)CC2)nnn1Cc1ccc(C)cc1
InChIInChI=1S/C18H24N4O2/c1-13-4-6-15(7-5-13)12-22-18(24-3)16(19-20-22)17(23)21-10-8-14(2)9-11-21/h4-7,14H,8-12H2,1-3H3
InChIKeyDYPCVVZJCQIOFQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.52
Rot. Bonds4

About [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone

[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 91938542) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID91938542
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1c(C(=O)N2CCC(C)CC2)nnn1Cc1ccc(C)cc1
InChIInChI=1S/C18H24N4O2/c1-13-4-6-15(7-5-13)12-22-18(24-3)16(19-20-22)17(23)21-10-8-14(2)9-11-21/h4-7,14H,8-12H2,1-3H3
InChIKeyDYPCVVZJCQIOFQ-UHFFFAOYSA-N
XLogP2.52
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-piperidin-1-ylmethanone
CID 91938550
(1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone
CID 91938610
[5-chloro-1-[(4-methylphenyl)methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 91938627
(1-benzyl-5-methoxytriazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 91938600
1-(1-benzyl-5-methoxytriazole-4-carbonyl)-N-cyclopropylpiperidine-3-carboxamide
CID 102551779
1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide
CID 91938588
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
methyl 5-chloro-1-[(4-methylphenyl)methyl]triazole-4-carboxylate
CID 170267219
1-[(4-methylphenyl)methyl]-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-2,3-dione
CID 53063791
[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 43920450
(1-benzyl-5-chlorotriazol-4-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 97458753
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044864

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 91938542) is [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone is COc1c(C(=O)N2CCC(C)CC2)nnn1Cc1ccc(C)cc1.
What is the InChIKey of [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is DYPCVVZJCQIOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-4-6-15(7-5-13)12-22-18(24-3)16(19-20-22)17(23)21-10-8-14(2)9-11-21/h4-7,14H,8-12H2,1-3H3.
What are the key properties of [5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 2.52, 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]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 91938542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).