2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone

C18H24FN3O3 — CID 120786234

IUPAC2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)C1CCOCC1
InChIInChI=1S/C18H24FN3O3/c19-15-3-1-2-14(12-15)17(23)21-6-8-22(9-7-21)18(24)16(20)13-4-10-25-11-5-13/h1-3,12-13,16H,4-11,20H2
InChIKeyLDVGBQRRVFNZJS-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.86
Rot. Bonds3

About 2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone

2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 120786234) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
PubChem CID120786234
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)C1CCOCC1
InChIInChI=1S/C18H24FN3O3/c19-15-3-1-2-14(12-15)17(23)21-6-8-22(9-7-21)18(24)16(20)13-4-10-25-11-5-13/h1-3,12-13,16H,4-11,20H2
InChIKeyLDVGBQRRVFNZJS-UHFFFAOYSA-N
XLogP0.86
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120786261
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120790448
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796792
2-amino-1-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120788661
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120791793
2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120786223
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665
2-amino-2-(oxan-4-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone;dihydrochloride
CID 120796843
2-amino-2-(oxan-4-yl)-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone
CID 120793506
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
2-amino-2-(oxan-4-yl)-1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]ethanone;hydrochloride
CID 120793505
2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120985449

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone (CID 120786234) is 2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone is NC(C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is LDVGBQRRVFNZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c19-15-3-1-2-14(12-15)17(23)21-6-8-22(9-7-21)18(24)16(20)13-4-10-25-11-5-13/h1-3,12-13,16H,4-11,20H2.
What are the key properties of 2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone?
2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 349.41 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120786234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).