1-[(3-fluorophenyl)methyl]-4-(2-morpholin-4-ylbutanoyl)piperazin-2-one

C19H26FN3O3 — CID 70741331

IUPAC1-[(3-fluorophenyl)methyl]-4-(2-morpholin-4-ylbutanoyl)piperazin-2-one
SMILESCCC(C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1)N1CCOCC1
InChIInChI=1S/C19H26FN3O3/c1-2-17(21-8-10-26-11-9-21)19(25)23-7-6-22(18(24)14-23)13-15-4-3-5-16(20)12-15/h3-5,12,17H,2,6-11,13-14H2,1H3
InChIKeyPTQVZQLQLZIIHX-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.11
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-4-(2-morpholin-4-ylbutanoyl)piperazin-2-one

1-[(3-fluorophenyl)methyl]-4-(2-morpholin-4-ylbutanoyl)piperazin-2-one (PubChem CID 70741331) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(2-morpholin-4-ylbutanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(2-morpholin-4-ylbutanoyl)piperazin-2-one
PubChem CID70741331
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(2-morpholin-4-ylbutanoyl)piperazin-2-one
SMILESCCC(C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1)N1CCOCC1
InChIInChI=1S/C19H26FN3O3/c1-2-17(21-8-10-26-11-9-21)19(25)23-7-6-22(18(24)14-23)13-15-4-3-5-16(20)12-15/h3-5,12,17H,2,6-11,13-14H2,1H3
InChIKeyPTQVZQLQLZIIHX-UHFFFAOYSA-N
XLogP1.11
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(2-morpholin-4-ylbutanoyl)piperazin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(2-morpholin-4-ylbutanoyl)piperazin-2-one (CID 70741331) is 1-[(3-fluorophenyl)methyl]-4-(2-morpholin-4-ylbutanoyl)piperazin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(2-morpholin-4-ylbutanoyl)piperazin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(2-morpholin-4-ylbutanoyl)piperazin-2-one is CCC(C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1)N1CCOCC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(2-morpholin-4-ylbutanoyl)piperazin-2-one?
The InChIKey is PTQVZQLQLZIIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-2-17(21-8-10-26-11-9-21)19(25)23-7-6-22(18(24)14-23)13-15-4-3-5-16(20)12-15/h3-5,12,17H,2,6-11,13-14H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(2-morpholin-4-ylbutanoyl)piperazin-2-one?
1-[(3-fluorophenyl)methyl]-4-(2-morpholin-4-ylbutanoyl)piperazin-2-one has a molecular weight of 363.43 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-(2-morpholin-4-ylbutanoyl)piperazin-2-one is sourced from PubChem (CID 70741331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).