[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone

C17H22FN3O — CID 136559926

IUPAC[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone
SMILESC=C1CCC(C(=O)N2CCN(c3ccc(F)cn3)CC2)CC1
InChIInChI=1S/C17H22FN3O/c1-13-2-4-14(5-3-13)17(22)21-10-8-20(9-11-21)16-7-6-15(18)12-19-16/h6-7,12,14H,1-5,8-11H2
InChIKeyAHZZXHRLDNCYOL-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.62
Rot. Bonds2

About [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone

[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone (PubChem CID 136559926) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone.

Molecular Properties

Compound Name[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone
PubChem CID136559926
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone
SMILESC=C1CCC(C(=O)N2CCN(c3ccc(F)cn3)CC2)CC1
InChIInChI=1S/C17H22FN3O/c1-13-2-4-14(5-3-13)17(22)21-10-8-20(9-11-21)16-7-6-15(18)12-19-16/h6-7,12,14H,1-5,8-11H2
InChIKeyAHZZXHRLDNCYOL-UHFFFAOYSA-N
XLogP2.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

aziridin-1-yl-(4-methylidenecyclohexyl)methanone
CID 91507558
[4-(5-amino-2-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462008
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 122156291
(4-methylidenecyclohexyl)-piperidin-1-ylmethanone
CID 90711558
4-chloro-1-(5-fluoro-2-pyridinyl)azepane
CID 131020139
1-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 176935100
1-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-2-pentoxyethanone
CID 126799742
4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid
CID 174202611
4-(5-fluoro-2-pyridinyl)-N-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxamide
CID 142622772
4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 139547744
cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 36727474
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 42849978

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone?
The IUPAC name of [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone (CID 136559926) is [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone.
What is the SMILES notation for [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone?
The canonical SMILES for [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone is C=C1CCC(C(=O)N2CCN(c3ccc(F)cn3)CC2)CC1.
What is the InChIKey of [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone?
The InChIKey is AHZZXHRLDNCYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-13-2-4-14(5-3-13)17(22)21-10-8-20(9-11-21)16-7-6-15(18)12-19-16/h6-7,12,14H,1-5,8-11H2.
What are the key properties of [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone?
[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone has a molecular weight of 303.38 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-(4-methylidenecyclohexyl)methanone is sourced from PubChem (CID 136559926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).