[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone

C20H27N5O2 — CID 118787843

IUPAC[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1cnnc1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C20H27N5O2/c26-20(18-6-1-2-7-19(18)24-15-21-22-16-24)25-9-4-3-5-17(25)8-10-23-11-13-27-14-12-23/h1-2,6-7,15-17H,3-5,8-14H2
InChIKeyOSJDUSVJTRZQMI-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.98
Rot. Bonds5

About [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone

[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone (PubChem CID 118787843) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
PubChem CID118787843
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1cnnc1)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C20H27N5O2/c26-20(18-6-1-2-7-19(18)24-15-21-22-16-24)25-9-4-3-5-17(25)8-10-23-11-13-27-14-12-23/h1-2,6-7,15-17H,3-5,8-14H2
InChIKeyOSJDUSVJTRZQMI-UHFFFAOYSA-N
XLogP1.98
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone with MolForge

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Related Compounds

[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 97137038
[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 97137037
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
[2-(1H-imidazol-2-yl)phenyl]-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70756590
1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70772143
(2-methylphenyl)-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29339285
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 23607111
(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776068
(3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 53193426
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
(2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97109668
(2-methylphenyl)-[2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 53193412

Frequently Asked Questions

What is the IUPAC name of [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone?
The IUPAC name of [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone (CID 118787843) is [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone.
What is the SMILES notation for [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone?
The canonical SMILES for [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone is O=C(c1ccccc1-n1cnnc1)N1CCCCC1CCN1CCOCC1.
What is the InChIKey of [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone?
The InChIKey is OSJDUSVJTRZQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-20(18-6-1-2-7-19(18)24-15-21-22-16-24)25-9-4-3-5-17(25)8-10-23-11-13-27-14-12-23/h1-2,6-7,15-17H,3-5,8-14H2.
What are the key properties of [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone?
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone has a molecular weight of 369.47 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone is sourced from PubChem (CID 118787843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).