(1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone

C16H20N4O2 — CID 91938610

IUPAC(1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone
SMILESCOc1c(C(=O)N2CCCCC2)nnn1Cc1ccccc1
InChIInChI=1S/C16H20N4O2/c1-22-16-14(15(21)19-10-6-3-7-11-19)17-18-20(16)12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKeyMCVBUOQZEKZUQA-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.96
Rot. Bonds4

About (1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone

(1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone (PubChem CID 91938610) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone
PubChem CID91938610
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone
SMILESCOc1c(C(=O)N2CCCCC2)nnn1Cc1ccccc1
InChIInChI=1S/C16H20N4O2/c1-22-16-14(15(21)19-10-6-3-7-11-19)17-18-20(16)12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKeyMCVBUOQZEKZUQA-UHFFFAOYSA-N
XLogP1.96
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.96
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-(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
[5-methoxy-1-[(4-methylphenyl)methyl]triazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 91938542
1-benzyl-N-cyclopropyl-5-methoxytriazole-4-carboxamide
CID 91938588
1-[(2-chlorophenyl)methyl]-5-methoxytriazole-4-carboxylic acid;hydrochloride
CID 70416302
[5-chloro-1-[(4-methylphenyl)methyl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 91938627
(1-benzyl-5-chlorotriazol-4-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 97458753
methyl 5-(1-benzyl-5-methyltriazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50970218
1-benzyl-5-methoxy-N-[3-(3-methoxyphenyl)propyl]triazole-4-carboxamide
CID 171132829
(1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
CID 42820297
1-[(2-chlorophenyl)methyl]-5-methoxy-N-propan-2-yltriazole-4-carboxamide
CID 91938638

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone (CID 91938610) is (1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone is COc1c(C(=O)N2CCCCC2)nnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone?
The InChIKey is MCVBUOQZEKZUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-22-16-14(15(21)19-10-6-3-7-11-19)17-18-20(16)12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3.
What are the key properties of (1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone?
(1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone has a molecular weight of 300.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 91938610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).