morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone

C19H23N5O3 — CID 124568573

IUPACmorpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone
SMILESO=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H23N5O3/c25-18(15-3-5-17(6-4-15)24-13-20-21-14-24)23-7-1-2-16(12-23)19(26)22-8-10-27-11-9-22/h3-6,13-14,16H,1-2,7-12H2/t16-/m0/s1
InChIKeyLFUPNIRQWUCFMU-INIZCTEOSA-N
MW369.43 g/mol
LogP0.98
Rot. Bonds3

About morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone

morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone (PubChem CID 124568573) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone
PubChem CID124568573
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Namemorpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone
SMILESO=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H23N5O3/c25-18(15-3-5-17(6-4-15)24-13-20-21-14-24)23-7-1-2-16(12-23)19(26)22-8-10-27-11-9-22/h3-6,13-14,16H,1-2,7-12H2/t16-/m0/s1
InChIKeyLFUPNIRQWUCFMU-INIZCTEOSA-N
XLogP0.98
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

morpholin-4-yl-[(3S)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 31006642
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503
[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 119277068
(3R)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125134650
4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxylic acid
CID 119357981
[1-(1-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 118789278
[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134048335
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95282730
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 42783455
[(2S)-2-tert-butylmorpholin-4-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 100739577

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone (CID 124568573) is morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone is O=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1.
What is the InChIKey of morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone?
The InChIKey is LFUPNIRQWUCFMU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-18(15-3-5-17(6-4-15)24-13-20-21-14-24)23-7-1-2-16(12-23)19(26)22-8-10-27-11-9-22/h3-6,13-14,16H,1-2,7-12H2/t16-/m0/s1.
What are the key properties of morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone?
morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(3S)-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone is sourced from PubChem (CID 124568573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).