[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride

C18H24ClF2N3O3 — CID 119278777

IUPAC[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccccc1OC(F)F)N1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C18H23F2N3O3.ClH/c19-18(20)26-15-7-2-1-5-13(15)16(24)22-9-11-23(12-10-22)17(25)14-6-3-4-8-21-14;/h1-2,5,7,14,18,21H,3-4,6,8-12H2;1H
InChIKeyDOOJECKBVKEVCV-UHFFFAOYSA-N
MW403.86 g/mol
LogP2.14
Rot. Bonds4

About [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride

[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride (PubChem CID 119278777) has the molecular formula C18H24ClF2N3O3 and a molecular weight of 403.86 g/mol. Its IUPAC name is [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
PubChem CID119278777
Molecular FormulaC18H24ClF2N3O3
Molecular Weight403.86 g/mol
Exact Mass403.15
IUPAC Name[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccccc1OC(F)F)N1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C18H23F2N3O3.ClH/c19-18(20)26-15-7-2-1-5-13(15)16(24)22-9-11-23(12-10-22)17(25)14-6-3-4-8-21-14;/h1-2,5,7,14,18,21H,3-4,6,8-12H2;1H
InChIKeyDOOJECKBVKEVCV-UHFFFAOYSA-N
XLogP2.14
TPSA61.88 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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone
CID 119278778
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119278786
[2-(difluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43391804
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119294607
(3-aminocyclopentyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119703712
2-cyclohexyl-1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]ethanone
CID 134001998
[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577090
(4-aminophenyl)-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119703716
2-(2-methylphenoxy)-1-[4-(piperidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119330992
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 46434757
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[(2S)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 51932724
1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 55608451

Frequently Asked Questions

What is the IUPAC name of [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The IUPAC name of [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride (CID 119278777) is [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The canonical SMILES for [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride is Cl.O=C(c1ccccc1OC(F)F)N1CCN(C(=O)C2CCCCN2)CC1.
What is the InChIKey of [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The InChIKey is DOOJECKBVKEVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O3.ClH/c19-18(20)26-15-7-2-1-5-13(15)16(24)22-9-11-23(12-10-22)17(25)14-6-3-4-8-21-14;/h1-2,5,7,14,18,21H,3-4,6,8-12H2;1H.
What are the key properties of [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride has a molecular weight of 403.86 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119278777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).