(3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride

C18H25ClFN3O2 — CID 119710030

IUPAC(3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H24FN3O2.ClH/c19-15-6-4-13(5-7-15)17(23)21-8-10-22(11-9-21)18(24)14-2-1-3-16(20)12-14;/h4-7,14,16H,1-3,8-12,20H2;1H
InChIKeyZIPCIRVITFGACK-UHFFFAOYSA-N
MW369.87 g/mol
LogP2.05
Rot. Bonds2

About (3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride

(3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119710030) has the molecular formula C18H25ClFN3O2 and a molecular weight of 369.87 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119710030
Molecular FormulaC18H25ClFN3O2
Molecular Weight369.87 g/mol
Exact Mass369.16
IUPAC Name(3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.NC1CCCC(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H24FN3O2.ClH/c19-15-6-4-13(5-7-15)17(23)21-8-10-22(11-9-21)18(24)14-2-1-3-16(20)12-14;/h4-7,14,16H,1-3,8-12,20H2;1H
InChIKeyZIPCIRVITFGACK-UHFFFAOYSA-N
XLogP2.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclopentyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119710026
(3-aminocyclohexyl)-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119756470
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
(3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119727471
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(3-aminocyclopentyl)-[4-(4-nitrobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119799606
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 119732695
(3-aminocyclohexyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888902
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 119710348

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride (CID 119710030) is (3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride is Cl.NC1CCCC(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C1.
What is the InChIKey of (3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is ZIPCIRVITFGACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2.ClH/c19-15-6-4-13(5-7-15)17(23)21-8-10-22(11-9-21)18(24)14-2-1-3-16(20)12-14;/h4-7,14,16H,1-3,8-12,20H2;1H.
What are the key properties of (3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride?
(3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 369.87 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119710030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).