[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone

C15H18FN3O2 — CID 61107768

IUPAC[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
SMILESNc1ccc(F)c(C(=O)N2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C15H18FN3O2/c16-13-4-3-11(17)9-12(13)15(21)19-7-5-18(6-8-19)14(20)10-1-2-10/h3-4,9-10H,1-2,5-8,17H2
InChIKeyOVTUMTVVCUJTGH-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.10
Rot. Bonds2

About [4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone

[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone (PubChem CID 61107768) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is [4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
PubChem CID61107768
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
SMILESNc1ccc(F)c(C(=O)N2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C15H18FN3O2/c16-13-4-3-11(17)9-12(13)15(21)19-7-5-18(6-8-19)14(20)10-1-2-10/h3-4,9-10H,1-2,5-8,17H2
InChIKeyOVTUMTVVCUJTGH-UHFFFAOYSA-N
XLogP1.10
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43585610
(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917475
(5-amino-2-fluorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604305
cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 32651804
(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211692
(5-amino-2-fluorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79188191
[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067209
cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
CID 62648905
(5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62938056
(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63157430
(5-amino-2-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61101822
2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 61114166

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone (CID 61107768) is [4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone is Nc1ccc(F)c(C(=O)N2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of [4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is OVTUMTVVCUJTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-13-4-3-11(17)9-12(13)15(21)19-7-5-18(6-8-19)14(20)10-1-2-10/h3-4,9-10H,1-2,5-8,17H2.
What are the key properties of [4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone?
[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 291.33 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 61107768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).