3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one

C16H21N3O3 — CID 110657586

IUPAC3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one
SMILESCc1cccc(C2C(=O)NCCN2C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H21N3O3/c1-12-3-2-4-13(11-12)14-15(20)17-5-6-19(14)16(21)18-7-9-22-10-8-18/h2-4,11,14H,5-10H2,1H3,(H,17,20)
InChIKeyYFJOWVSLSJAKKI-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.92
Rot. Bonds1

About 3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one

3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one (PubChem CID 110657586) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one
PubChem CID110657586
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one
SMILESCc1cccc(C2C(=O)NCCN2C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H21N3O3/c1-12-3-2-4-13(11-12)14-15(20)17-5-6-19(14)16(21)18-7-9-22-10-8-18/h2-4,11,14H,5-10H2,1H3,(H,17,20)
InChIKeyYFJOWVSLSJAKKI-UHFFFAOYSA-N
XLogP0.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one?
The IUPAC name of 3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one (CID 110657586) is 3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one is Cc1cccc(C2C(=O)NCCN2C(=O)N2CCOCC2)c1.
What is the InChIKey of 3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one?
The InChIKey is YFJOWVSLSJAKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12-3-2-4-13(11-12)14-15(20)17-5-6-19(14)16(21)18-7-9-22-10-8-18/h2-4,11,14H,5-10H2,1H3,(H,17,20).
What are the key properties of 3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one?
3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one has a molecular weight of 303.36 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 110657586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).