(4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone

C16H20N4O2 — CID 56817705

IUPAC(4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
SMILESCCOC1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H20N4O2/c1-2-22-14-8-10-19(11-9-14)16(21)15-12-17-20(18-15)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKeyAOPXCRVBDIJCLJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.91
Rot. Bonds4

About (4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone

(4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone (PubChem CID 56817705) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
PubChem CID56817705
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
SMILESCCOC1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H20N4O2/c1-2-22-14-8-10-19(11-9-14)16(21)15-12-17-20(18-15)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKeyAOPXCRVBDIJCLJ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 154576711
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 90493140
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 115969425
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
(4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone
CID 51324265
[(3R)-3-aminopyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119412778
methyl 2-[(3R)-1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 99982434
(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 55178970
[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 171338016
(2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887074
(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62954265

Frequently Asked Questions

What is the IUPAC name of (4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of (4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone (CID 56817705) is (4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for (4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone is CCOC1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1.
What is the InChIKey of (4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone?
The InChIKey is AOPXCRVBDIJCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-22-14-8-10-19(11-9-14)16(21)15-12-17-20(18-15)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3.
What are the key properties of (4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone?
(4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 56817705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).