[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C22H27FN4O — CID 109159681

IUPAC[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(N2CCCCCC2)nc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN4O/c23-19-6-8-20(9-7-19)25-13-15-27(16-14-25)22(28)18-5-10-21(24-17-18)26-11-3-1-2-4-12-26/h5-10,17H,1-4,11-16H2
InChIKeyDWWNOMNSWOOVAQ-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.56
Rot. Bonds3

About [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109159681) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109159681
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC Name[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(N2CCCCCC2)nc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN4O/c23-19-6-8-20(9-7-19)25-13-15-27(16-14-25)22(28)18-5-10-21(24-17-18)26-11-3-1-2-4-12-26/h5-10,17H,1-4,11-16H2
InChIKeyDWWNOMNSWOOVAQ-UHFFFAOYSA-N
XLogP3.56
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154538
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109154708
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109152530
[2-(azepan-1-yl)-4-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109173653
[4-(2,4-difluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 166339714
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
CID 126782325
[4-(2-fluorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84571000
[6-(azepan-1-yl)-3-pyridinyl]-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 112818698
[4-(4-fluorophenyl)piperazin-1-yl]-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95105164
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 55508084
[4-(4-fluorophenyl)piperazin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959426
(5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46798589

Frequently Asked Questions

What is the IUPAC name of [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 109159681) is [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(N2CCCCCC2)nc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is DWWNOMNSWOOVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c23-19-6-8-20(9-7-19)25-13-15-27(16-14-25)22(28)18-5-10-21(24-17-18)26-11-3-1-2-4-12-26/h5-10,17H,1-4,11-16H2.
What are the key properties of [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 382.48 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109159681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).