(3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride

C18H24ClF2N3O3 — CID 119703712

IUPAC(3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
SMILESCl.NC1CCC(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)C1
InChIInChI=1S/C18H23F2N3O3.ClH/c19-18(20)26-15-4-2-1-3-14(15)17(25)23-9-7-22(8-10-23)16(24)12-5-6-13(21)11-12;/h1-4,12-13,18H,5-11,21H2;1H
InChIKeyRTCGFXJURKBUPB-UHFFFAOYSA-N
MW403.86 g/mol
LogP2.12
Rot. Bonds4

About (3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride

(3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 119703712) has the molecular formula C18H24ClF2N3O3 and a molecular weight of 403.86 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID119703712
Molecular FormulaC18H24ClF2N3O3
Molecular Weight403.86 g/mol
Exact Mass403.15
IUPAC Name(3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
SMILESCl.NC1CCC(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)C1
InChIInChI=1S/C18H23F2N3O3.ClH/c19-18(20)26-15-4-2-1-3-14(15)17(25)23-9-7-22(8-10-23)16(24)12-5-6-13(21)11-12;/h1-4,12-13,18H,5-11,21H2;1H
InChIKeyRTCGFXJURKBUPB-UHFFFAOYSA-N
XLogP2.12
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.86
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119278777
[(3R)-3-aminopyrrolidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone
CID 119409468
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119278786
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone
CID 119278778
(4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119703716
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 46434757
(3-aminocyclopentyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119710026
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 34343631
1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 55608451
2-cyclohexyl-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]ethanone
CID 134001998
1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one;hydrochloride
CID 119796826

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride (CID 119703712) is (3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride is Cl.NC1CCC(C(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)C1.
What is the InChIKey of (3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is RTCGFXJURKBUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O3.ClH/c19-18(20)26-15-4-2-1-3-14(15)17(25)23-9-7-22(8-10-23)16(24)12-5-6-13(21)11-12;/h1-4,12-13,18H,5-11,21H2;1H.
What are the key properties of (3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride?
(3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 403.86 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119703712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).