(4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone

C21H29FN4O2 — CID 109134358

IUPAC(4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone
SMILESCCN1CCN(C(=O)C2CC2C(=O)N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C21H29FN4O2/c1-2-23-7-9-25(10-8-23)20(27)16-15-17(16)21(28)26-13-11-24(12-14-26)19-6-4-3-5-18(19)22/h3-6,16-17H,2,7-15H2,1H3
InChIKeyVTXMDSHYIJJSLB-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.27
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone

(4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone (PubChem CID 109134358) has the molecular formula C21H29FN4O2 and a molecular weight of 388.49 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone
PubChem CID109134358
Molecular FormulaC21H29FN4O2
Molecular Weight388.49 g/mol
Exact Mass388.23
IUPAC Name(4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone
SMILESCCN1CCN(C(=O)C2CC2C(=O)N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C21H29FN4O2/c1-2-23-7-9-25(10-8-23)20(27)16-15-17(16)21(28)26-13-11-24(12-14-26)19-6-4-3-5-18(19)22/h3-6,16-17H,2,7-15H2,1H3
InChIKeyVTXMDSHYIJJSLB-UHFFFAOYSA-N
XLogP1.27
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 109139092
2-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 109134337
N-[(4-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109136049
2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 51191557
(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 64823960
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
2-(4-ethylpiperazin-1-yl)-6-fluorobenzoic acid
CID 79522441
(4-ethylpiperazin-1-yl)-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109345442
(4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 66240445
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681327
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone (CID 109134358) is (4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone is CCN1CCN(C(=O)C2CC2C(=O)N2CCN(c3ccccc3F)CC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone?
The InChIKey is VTXMDSHYIJJSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O2/c1-2-23-7-9-25(10-8-23)20(27)16-15-17(16)21(28)26-13-11-24(12-14-26)19-6-4-3-5-18(19)22/h3-6,16-17H,2,7-15H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone?
(4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone has a molecular weight of 388.49 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone is sourced from PubChem (CID 109134358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).