(4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone

C19H24N4O2 — CID 121018084

IUPAC(4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(n2nccn2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H24N4O2/c24-18(22-12-6-17(7-13-22)23-20-10-11-21-23)19(8-14-25-15-9-19)16-4-2-1-3-5-16/h1-5,10-11,17H,6-9,12-15H2
InChIKeyNDSXJBGJHMWSCB-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.19
Rot. Bonds3

About (4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone

(4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121018084) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
PubChem CID121018084
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(n2nccn2)CC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H24N4O2/c24-18(22-12-6-17(7-13-22)23-20-10-11-21-23)19(8-14-25-15-9-19)16-4-2-1-3-5-16/h1-5,10-11,17H,6-9,12-15H2
InChIKeyNDSXJBGJHMWSCB-UHFFFAOYSA-N
XLogP2.19
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[1-(4-phenyloxane-4-carbonyl)piperidin-4-yl]-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122161723
(4-phenyloxan-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121149929
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-phenyloxan-4-yl)methanone
CID 71785131
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122335188
[4-(benzenesulfonyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 39906268
[4-(isoquinolin-8-ylmethyl)azepan-1-yl]-(4-phenyloxan-4-yl)methanone
CID 110149312
[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 155800929
(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 138002316
[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 100757035
(4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753527
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493

Frequently Asked Questions

What is the IUPAC name of (4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone (CID 121018084) is (4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone is O=C(N1CCC(n2nccn2)CC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of (4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is NDSXJBGJHMWSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(22-12-6-17(7-13-22)23-20-10-11-21-23)19(8-14-25-15-9-19)16-4-2-1-3-5-16/h1-5,10-11,17H,6-9,12-15H2.
What are the key properties of (4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone?
(4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121018084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).