(3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone

C20H21N5O2 — CID 74240317

IUPAC(3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(-n2cnnc2)c1)N1CCCC(OCc2ccccc2)C1
InChIInChI=1S/C20H21N5O2/c26-20(17-8-9-21-19(11-17)25-14-22-23-15-25)24-10-4-7-18(12-24)27-13-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,14-15,18H,4,7,10,12-13H2
InChIKeyNVRWKGYCJRGNQD-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.48
Rot. Bonds5

About (3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone

(3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone (PubChem CID 74240317) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
PubChem CID74240317
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(-n2cnnc2)c1)N1CCCC(OCc2ccccc2)C1
InChIInChI=1S/C20H21N5O2/c26-20(17-8-9-21-19(11-17)25-14-22-23-15-25)24-10-4-7-18(12-24)27-13-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,14-15,18H,4,7,10,12-13H2
InChIKeyNVRWKGYCJRGNQD-UHFFFAOYSA-N
XLogP2.48
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 95715751
(2-methoxy-4-pyridinyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70710793
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 95552748
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 95551102
(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
[(3R)-3-ethoxypiperidin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 95582872
(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844152
[3-[[4-(aminomethyl)-2-pyridinyl]oxy]piperidin-1-yl]-phenylmethanone
CID 122516201
[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70758176
1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone
CID 167761394
(3,4-dichlorophenyl)-[3-[(3,5-dimethoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 46029085
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 176500396

Frequently Asked Questions

What is the IUPAC name of (3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
The IUPAC name of (3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone (CID 74240317) is (3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone.
What is the SMILES notation for (3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
The canonical SMILES for (3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone is O=C(c1ccnc(-n2cnnc2)c1)N1CCCC(OCc2ccccc2)C1.
What is the InChIKey of (3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
The InChIKey is NVRWKGYCJRGNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20(17-8-9-21-19(11-17)25-14-22-23-15-25)24-10-4-7-18(12-24)27-13-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,14-15,18H,4,7,10,12-13H2.
What are the key properties of (3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
(3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone has a molecular weight of 363.42 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 74240317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).