[1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone

C19H22F2N4O2 — CID 166105282

IUPAC[1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1nnn(C2CC2)c1C(F)F)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C19H22F2N4O2/c20-18(21)17-16(22-23-25(17)14-8-9-14)19(26)24-10-4-5-13(11-24)12-27-15-6-2-1-3-7-15/h1-3,6-7,13-14,18H,4-5,8-12H2
InChIKeyBWMBMQCHBNQIFQ-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.48
Rot. Bonds6

About [1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone

[1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone (PubChem CID 166105282) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is [1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
PubChem CID166105282
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name[1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1nnn(C2CC2)c1C(F)F)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C19H22F2N4O2/c20-18(21)17-16(22-23-25(17)14-8-9-14)19(26)24-10-4-5-13(11-24)12-27-15-6-2-1-3-7-15/h1-3,6-7,13-14,18H,4-5,8-12H2
InChIKeyBWMBMQCHBNQIFQ-UHFFFAOYSA-N
XLogP3.48
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
3-amino-1-[3-(phenoxymethyl)piperidin-1-yl]propan-1-one
CID 102560007
4-phenoxy-1-[3-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 110638417
[2-(ethylamino)pyrimidin-5-yl]-[(3R)-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 97156064
tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
1-[3-(phenoxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110638413
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110638734
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
(1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 42190508
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86971206

Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone (CID 166105282) is [1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone is O=C(c1nnn(C2CC2)c1C(F)F)N1CCCC(COc2ccccc2)C1.
What is the InChIKey of [1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The InChIKey is BWMBMQCHBNQIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c20-18(21)17-16(22-23-25(17)14-8-9-14)19(26)24-10-4-5-13(11-24)12-27-15-6-2-1-3-7-15/h1-3,6-7,13-14,18H,4-5,8-12H2.
What are the key properties of [1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
[1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone has a molecular weight of 376.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-5-(difluoromethyl)triazol-4-yl]-[3-(phenoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 166105282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).