[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone

C20H27FN4O2 — CID 108973934

IUPAC[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)CC1
InChIInChI=1S/C20H27FN4O2/c1-22-8-10-24(11-9-22)18(26)20(6-7-20)19(27)25-14-12-23(13-15-25)17-4-2-16(21)3-5-17/h2-5H,6-15H2,1H3
InChIKeyHARKPCPZMWFKHB-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.03
Rot. Bonds3

About [1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone

[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 108973934) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is [1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID108973934
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)CC1
InChIInChI=1S/C20H27FN4O2/c1-22-8-10-24(11-9-22)18(26)20(6-7-20)19(27)25-14-12-23(13-15-25)17-4-2-16(21)3-5-17/h2-5H,6-15H2,1H3
InChIKeyHARKPCPZMWFKHB-UHFFFAOYSA-N
XLogP1.03
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971218
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
CID 108978238
N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978231
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120639402
1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 51246196
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428
[4-(4-fluorophenyl)piperazin-1-yl]-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 46345558
[1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763134
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone (CID 108973934) is [1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)CC1.
What is the InChIKey of [1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is HARKPCPZMWFKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-22-8-10-24(11-9-22)18(26)20(6-7-20)19(27)25-14-12-23(13-15-25)17-4-2-16(21)3-5-17/h2-5H,6-15H2,1H3.
What are the key properties of [1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone?
[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 374.46 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 108973934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).