[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone

C20H20ClN5O2 — CID 163353514

IUPAC[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCCC(COc2ncccc2Cl)C1
InChIInChI=1S/C20H20ClN5O2/c21-17-9-4-10-22-19(17)28-14-15-6-5-11-25(13-15)20(27)18-12-23-26(24-18)16-7-2-1-3-8-16/h1-4,7-10,12,15H,5-6,11,13-14H2
InChIKeyANWBSYIFCGFQCL-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.25
Rot. Bonds5

About [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone

[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone (PubChem CID 163353514) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
PubChem CID163353514
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCCC(COc2ncccc2Cl)C1
InChIInChI=1S/C20H20ClN5O2/c21-17-9-4-10-22-19(17)28-14-15-6-5-11-25(13-15)20(27)18-12-23-26(24-18)16-7-2-1-3-8-16/h1-4,7-10,12,15H,5-6,11,13-14H2
InChIKeyANWBSYIFCGFQCL-UHFFFAOYSA-N
XLogP3.25
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 163351634
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 163353270
N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide
CID 163353325
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 163353441
[(3R)-3-aminopyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119412778
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916
[(3S)-3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 97417197
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122258230
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352682
[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 119103853
(3S)-3-[(2-bromo-3-pyridinyl)oxymethyl]piperidine-1-carboxylic acid
CID 143633716

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone (CID 163353514) is [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone is O=C(c1cnn(-c2ccccc2)n1)N1CCCC(COc2ncccc2Cl)C1.
What is the InChIKey of [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The InChIKey is ANWBSYIFCGFQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c21-17-9-4-10-22-19(17)28-14-15-6-5-11-25(13-15)20(27)18-12-23-26(24-18)16-7-2-1-3-8-16/h1-4,7-10,12,15H,5-6,11,13-14H2.
What are the key properties of [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone has a molecular weight of 397.87 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 163353514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).