1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one

C20H24FN3O3 — CID 166405547

IUPAC1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C20H24FN3O3/c1-2-18(25)22-9-7-16(8-10-22)20(27)24-13-11-23(12-14-24)19(26)15-3-5-17(21)6-4-15/h2-6,16H,1,7-14H2
InChIKeyXINBRFCJBCCOHY-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.53
Rot. Bonds3

About 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one

1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 166405547) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
PubChem CID166405547
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C20H24FN3O3/c1-2-18(25)22-9-7-16(8-10-22)20(27)24-13-11-23(12-14-24)19(26)15-3-5-17(21)6-4-15/h2-6,16H,1,7-14H2
InChIKeyXINBRFCJBCCOHY-UHFFFAOYSA-N
XLogP1.53
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 87024437
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-4-yl]methanone
CID 126023047
1-[4-[4-(4-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166412687
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 46688999
N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 55447120
(3-aminocyclopentyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119710026
[1-(4-fluorobenzoyl)piperidin-4-yl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24981880
[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42881342
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
[1-(4-fluorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918263
(3-aminocyclohexyl)-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119710030
4-[1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one
CID 134797710

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one (CID 166405547) is 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is XINBRFCJBCCOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-2-18(25)22-9-7-16(8-10-22)20(27)24-13-11-23(12-14-24)19(26)15-3-5-17(21)6-4-15/h2-6,16H,1,7-14H2.
What are the key properties of 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one?
1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 373.43 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 166405547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).