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

C19H23FN4O2 — CID 167976735

IUPAC[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]-(oxan-2-yl)methanone
SMILESO=C(C1CCCCO1)N1CCC(n2cc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C19H23FN4O2/c20-15-6-4-14(5-7-15)17-13-24(22-21-17)16-8-10-23(11-9-16)19(25)18-3-1-2-12-26-18/h4-7,13,16,18H,1-3,8-12H2
InChIKeyFYFNRWFEMUTMNE-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.82
Rot. Bonds3

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

[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]-(oxan-2-yl)methanone (PubChem CID 167976735) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is [4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]-(oxan-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]-(oxan-2-yl)methanone
PubChem CID167976735
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]-(oxan-2-yl)methanone
SMILESO=C(C1CCCCO1)N1CCC(n2cc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C19H23FN4O2/c20-15-6-4-14(5-7-15)17-13-24(22-21-17)16-8-10-23(11-9-16)19(25)18-3-1-2-12-26-18/h4-7,13,16,18H,1-3,8-12H2
InChIKeyFYFNRWFEMUTMNE-UHFFFAOYSA-N
XLogP2.82
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(3-chlorophenyl)triazol-1-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 167937168
[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-[(2S)-oxan-2-yl]methanone
CID 99930914
[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 31054807
[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 53003963
N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150134
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113004957
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110639052
(3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone
CID 46984125
[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95277119
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 55406914
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 24594059

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]-(oxan-2-yl)methanone?
The IUPAC name of [4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]-(oxan-2-yl)methanone (CID 167976735) is [4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]-(oxan-2-yl)methanone.
What is the SMILES notation for [4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]-(oxan-2-yl)methanone?
The canonical SMILES for [4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]-(oxan-2-yl)methanone is O=C(C1CCCCO1)N1CCC(n2cc(-c3ccc(F)cc3)nn2)CC1.
What is the InChIKey of [4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]-(oxan-2-yl)methanone?
The InChIKey is FYFNRWFEMUTMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-15-6-4-14(5-7-15)17-13-24(22-21-17)16-8-10-23(11-9-16)19(25)18-3-1-2-12-26-18/h4-7,13,16,18H,1-3,8-12H2.
What are the key properties of [4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]-(oxan-2-yl)methanone?
[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]-(oxan-2-yl)methanone has a molecular weight of 358.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]-(oxan-2-yl)methanone is sourced from PubChem (CID 167976735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).