[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone

C21H23N5O2 — CID 95551102

IUPAC[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(-n2cnnc2)c1)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C21H23N5O2/c27-21(18-9-10-22-20(13-18)26-15-23-24-16-26)25-11-12-28-19(14-25)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-10,13,15-16,19H,4,7-8,11-12,14H2/t19-/m0/s1
InChIKeyWSKINRLAZQXRNF-IBGZPJMESA-N
MW377.45 g/mol
LogP2.53
Rot. Bonds6

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

[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone (PubChem CID 95551102) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
PubChem CID95551102
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(-n2cnnc2)c1)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C21H23N5O2/c27-21(18-9-10-22-20(13-18)26-15-23-24-16-26)25-11-12-28-19(14-25)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-10,13,15-16,19H,4,7-8,11-12,14H2/t19-/m0/s1
InChIKeyWSKINRLAZQXRNF-IBGZPJMESA-N
XLogP2.53
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 42377336
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95553259
(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 42392703
1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
(3-phenylmethoxypiperidin-1-yl)-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 74240317
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95969181
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 155508884
[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 95715751
1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione
CID 42515268
1-[2-(3-phenylpropyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 45214839
[3-(dimethylamino)phenyl]-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 45193768
3-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95552345

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
The IUPAC name of [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone (CID 95551102) is [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
The canonical SMILES for [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone is O=C(c1ccnc(-n2cnnc2)c1)N1CCO[C@@H](CCCc2ccccc2)C1.
What is the InChIKey of [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
The InChIKey is WSKINRLAZQXRNF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N5O2/c27-21(18-9-10-22-20(13-18)26-15-23-24-16-26)25-11-12-28-19(14-25)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-10,13,15-16,19H,4,7-8,11-12,14H2/t19-/m0/s1.
What are the key properties of [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone?
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone has a molecular weight of 377.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 95551102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).