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

C20H27N5O2 — CID 97137038

IUPAC[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1cncn1)N1CCCC[C@H]1CCN1CCOCC1
InChIInChI=1S/C20H27N5O2/c26-20(18-6-1-2-7-19(18)25-16-21-15-22-25)24-9-4-3-5-17(24)8-10-23-11-13-27-14-12-23/h1-2,6-7,15-17H,3-5,8-14H2/t17-/m0/s1
InChIKeyPOHLWSMFGVLQBU-KRWDZBQOSA-N
MW369.47 g/mol
LogP1.98
Rot. Bonds5

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

[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone (PubChem CID 97137038) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
PubChem CID97137038
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1cncn1)N1CCCC[C@H]1CCN1CCOCC1
InChIInChI=1S/C20H27N5O2/c26-20(18-6-1-2-7-19(18)25-16-21-15-22-25)24-9-4-3-5-17(24)8-10-23-11-13-27-14-12-23/h1-2,6-7,15-17H,3-5,8-14H2/t17-/m0/s1
InChIKeyPOHLWSMFGVLQBU-KRWDZBQOSA-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

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Related Compounds

[(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]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 118787843
[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
[(2S)-2-(furan-2-yl)azepan-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 97126729
1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70772143
[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 96580443
(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-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

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone?
The IUPAC name of [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone (CID 97137038) is [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone?
The canonical SMILES for [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone is O=C(c1ccccc1-n1cncn1)N1CCCC[C@H]1CCN1CCOCC1.
What is the InChIKey of [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone?
The InChIKey is POHLWSMFGVLQBU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-20(18-6-1-2-7-19(18)25-16-21-15-22-25)24-9-4-3-5-17(24)8-10-23-11-13-27-14-12-23/h1-2,6-7,15-17H,3-5,8-14H2/t17-/m0/s1.
What are the key properties of [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone?
[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-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 [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 97137038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).