[5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C23H23FN4O — CID 109231816

IUPAC[5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cncc(NCc2ccccc2)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H23FN4O/c24-20-6-8-22(9-7-20)27-10-12-28(13-11-27)23(29)19-14-21(17-25-16-19)26-15-18-4-2-1-3-5-18/h1-9,14,16-17,26H,10-13,15H2
InChIKeyZVNBMRHQKJNQJL-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.80
Rot. Bonds5

About [5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109231816) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is [5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109231816
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name[5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cncc(NCc2ccccc2)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H23FN4O/c24-20-6-8-22(9-7-20)27-10-12-28(13-11-27)23(29)19-14-21(17-25-16-19)26-15-18-4-2-1-3-5-18/h1-9,14,16-17,26H,10-13,15H2
InChIKeyZVNBMRHQKJNQJL-UHFFFAOYSA-N
XLogP3.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109237604
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(furan-2-ylmethylamino)-3-pyridinyl]methanone
CID 109231488
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
CID 109231814
(4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
CID 109235071
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(3-methylanilino)-3-pyridinyl]methanone
CID 109237606
[5-(3-methoxypropylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109228225
[5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237510
[5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188000
1-[4-[5-[(2-fluorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231026
[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225535
morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 109228393

Frequently Asked Questions

What is the IUPAC name of [5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 109231816) is [5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cncc(NCc2ccccc2)c1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is ZVNBMRHQKJNQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-20-6-8-22(9-7-20)27-10-12-28(13-11-27)23(29)19-14-21(17-25-16-19)26-15-18-4-2-1-3-5-18/h1-9,14,16-17,26H,10-13,15H2.
What are the key properties of [5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 390.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109231816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).