1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone

C19H24N6O3 — CID 92632843

IUPAC1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCO[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C19H24N6O3/c26-18(13-25-15-20-14-21-25)24-10-11-28-17(12-24)19(27)23-8-6-22(7-9-23)16-4-2-1-3-5-16/h1-5,14-15,17H,6-13H2/t17-/m1/s1
InChIKeyFAICHVYQCWQLJQ-QGZVFWFLSA-N
MW384.44 g/mol
LogP-0.15
Rot. Bonds4

About 1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone

1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 92632843) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID92632843
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)N1CCO[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C19H24N6O3/c26-18(13-25-15-20-14-21-25)24-10-11-28-17(12-24)19(27)23-8-6-22(7-9-23)16-4-2-1-3-5-16/h1-5,14-15,17H,6-13H2/t17-/m1/s1
InChIKeyFAICHVYQCWQLJQ-QGZVFWFLSA-N
XLogP-0.15
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone with MolForge

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Related Compounds

1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 42395968
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 122299398
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 56797756
1-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122344533
(3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 28789819
(2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid
CID 129352878
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1,2,4-triazol-1-yl)ethanone
CID 106671113
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 119105948
morpholin-4-yl-[(2R)-4-pyrimidin-5-ylmorpholin-2-yl]methanone
CID 95841040
2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 72719893
4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid
CID 120526060
4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239315

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone (CID 92632843) is 1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone is O=C(Cn1cncn1)N1CCO[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is FAICHVYQCWQLJQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N6O3/c26-18(13-25-15-20-14-21-25)24-10-11-28-17(12-24)19(27)23-8-6-22(7-9-23)16-4-2-1-3-5-16/h1-5,14-15,17H,6-13H2/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone?
1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 384.44 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-phenylpiperazine-1-carbonyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 92632843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).