(2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone

C18H22N4O2 — CID 129328732

IUPAC(2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
SMILESCn1cnnc1[C@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)CCO1
InChIInChI=1S/C18H22N4O2/c1-21-12-19-20-17(21)15-11-22(9-10-24-15)18(23)16(14-7-8-14)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3/t15-,16-/m1/s1
InChIKeyCEKWORUDPVWAHJ-HZPDHXFCSA-N
MW326.40 g/mol
LogP1.91
Rot. Bonds4

About (2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone

(2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone (PubChem CID 129328732) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
PubChem CID129328732
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
SMILESCn1cnnc1[C@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)CCO1
InChIInChI=1S/C18H22N4O2/c1-21-12-19-20-17(21)15-11-22(9-10-24-15)18(23)16(14-7-8-14)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3/t15-,16-/m1/s1
InChIKeyCEKWORUDPVWAHJ-HZPDHXFCSA-N
XLogP1.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
CID 129334593
(2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone
CID 129327530
(3S)-3-(3-fluorophenyl)-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one
CID 129342102
(2S)-N-[(2-methylphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129328598
(2R)-2-(3-fluorophenoxy)-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]propan-1-one
CID 129338960
2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 128974587
(4-ethoxyphenyl)-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129328081
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129342128
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129329680
(3-methoxy-4-methylphenyl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006421
(5-chloro-2-methoxyphenyl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128967021
(2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine-4-carboxamide
CID 129329934

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone?
The IUPAC name of (2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone (CID 129328732) is (2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone.
What is the SMILES notation for (2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone?
The canonical SMILES for (2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone is Cn1cnnc1[C@H]1CN(C(=O)[C@H](c2ccccc2)C2CC2)CCO1.
What is the InChIKey of (2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone?
The InChIKey is CEKWORUDPVWAHJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21-12-19-20-17(21)15-11-22(9-10-24-15)18(23)16(14-7-8-14)13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3/t15-,16-/m1/s1.
What are the key properties of (2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone?
(2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone has a molecular weight of 326.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone is sourced from PubChem (CID 129328732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).