[4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone

C23H29FN4O — CID 120737828

IUPAC[4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCNCC3c3cccc(F)c3)cc2)CC1
InChIInChI=1S/C23H29FN4O/c1-2-26-12-14-27(15-13-26)21-8-6-18(7-9-21)23(29)28-11-10-25-17-22(28)19-4-3-5-20(24)16-19/h3-9,16,22,25H,2,10-15,17H2,1H3
InChIKeyBLEDUZYSFJADHI-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.75
Rot. Bonds4

About [4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone

[4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 120737828) has the molecular formula C23H29FN4O and a molecular weight of 396.51 g/mol. Its IUPAC name is [4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
PubChem CID120737828
Molecular FormulaC23H29FN4O
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC Name[4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCNCC3c3cccc(F)c3)cc2)CC1
InChIInChI=1S/C23H29FN4O/c1-2-26-12-14-27(15-13-26)21-8-6-18(7-9-21)23(29)28-11-10-25-17-22(28)19-4-3-5-20(24)16-19/h3-9,16,22,25H,2,10-15,17H2,1H3
InChIKeyBLEDUZYSFJADHI-UHFFFAOYSA-N
XLogP2.75
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(4-ethylpiperazin-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120732288
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120736229
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 120736657
[2-(3-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120736705
N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 120737744
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737068
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone (CID 120737828) is [4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone is CCN1CCN(c2ccc(C(=O)N3CCNCC3c3cccc(F)c3)cc2)CC1.
What is the InChIKey of [4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is BLEDUZYSFJADHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O/c1-2-26-12-14-27(15-13-26)21-8-6-18(7-9-21)23(29)28-11-10-25-17-22(28)19-4-3-5-20(24)16-19/h3-9,16,22,25H,2,10-15,17H2,1H3.
What are the key properties of [4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
[4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 396.51 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120737828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).