[2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone

C18H21F2N5O2 — CID 119769790

IUPAC[2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESO=C(c1cn(C2CCNCC2)nn1)N1CCOC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H21F2N5O2/c19-14-2-1-12(9-15(14)20)17-11-24(7-8-27-17)18(26)16-10-25(23-22-16)13-3-5-21-6-4-13/h1-2,9-10,13,17,21H,3-8,11H2
InChIKeyQGUYTQJQKFVIAD-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.69
Rot. Bonds3

About [2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone

[2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119769790) has the molecular formula C18H21F2N5O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119769790
Molecular FormulaC18H21F2N5O2
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC Name[2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESO=C(c1cn(C2CCNCC2)nn1)N1CCOC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H21F2N5O2/c19-14-2-1-12(9-15(14)20)17-11-24(7-8-27-17)18(26)16-10-25(23-22-16)13-3-5-21-6-4-13/h1-2,9-10,13,17,21H,3-8,11H2
InChIKeyQGUYTQJQKFVIAD-UHFFFAOYSA-N
XLogP1.69
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124605948
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119766019
[4-(2,5-difluorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119887866
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
CID 95714622
[2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
CID 56891712
(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119703030
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 124693146
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119843532
(2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119774179
1-(1-piperidin-4-yltriazole-4-carbonyl)azetidine-3-carboxylic acid
CID 79311734
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119843531

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of [2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone (CID 119769790) is [2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for [2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for [2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone is O=C(c1cn(C2CCNCC2)nn1)N1CCOC(c2ccc(F)c(F)c2)C1.
What is the InChIKey of [2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is QGUYTQJQKFVIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O2/c19-14-2-1-12(9-15(14)20)17-11-24(7-8-27-17)18(26)16-10-25(23-22-16)13-3-5-21-6-4-13/h1-2,9-10,13,17,21H,3-8,11H2.
What are the key properties of [2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
[2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 377.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)morpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119769790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).