[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride

C17H23ClFN3O2 — CID 119282032

IUPAC[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccc(F)c1)N1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C17H22FN3O2.ClH/c18-14-5-3-4-13(12-14)16(22)20-8-10-21(11-9-20)17(23)15-6-1-2-7-19-15;/h3-5,12,15,19H,1-2,6-11H2;1H
InChIKeyZCSJLRXBNZCTQJ-UHFFFAOYSA-N
MW355.84 g/mol
LogP1.67
Rot. Bonds2

About [4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride

[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride (PubChem CID 119282032) has the molecular formula C17H23ClFN3O2 and a molecular weight of 355.84 g/mol. Its IUPAC name is [4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
PubChem CID119282032
Molecular FormulaC17H23ClFN3O2
Molecular Weight355.84 g/mol
Exact Mass355.15
IUPAC Name[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccc(F)c1)N1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C17H22FN3O2.ClH/c18-14-5-3-4-13(12-14)16(22)20-8-10-21(11-9-20)17(23)15-6-1-2-7-19-15;/h3-5,12,15,19H,1-2,6-11H2;1H
InChIKeyZCSJLRXBNZCTQJ-UHFFFAOYSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119278834
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
CID 119296735
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
[4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119281944
[(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689038
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119296749
[(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119298898
[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 47025111
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119287866

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The IUPAC name of [4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride (CID 119282032) is [4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The canonical SMILES for [4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride is Cl.O=C(c1cccc(F)c1)N1CCN(C(=O)C2CCCCN2)CC1.
What is the InChIKey of [4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The InChIKey is ZCSJLRXBNZCTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2.ClH/c18-14-5-3-4-13(12-14)16(22)20-8-10-21(11-9-20)17(23)15-6-1-2-7-19-15;/h3-5,12,15,19H,1-2,6-11H2;1H.
What are the key properties of [4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride has a molecular weight of 355.84 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119282032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).