1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(methylamino)piperidine-4-carboxamide

C17H24FN3O2 — CID 10805726

IUPAC1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(methylamino)piperidine-4-carboxamide
SMILESCNC1(C(N)=O)CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O2/c1-20-17(16(19)23)8-11-21(12-9-17)10-2-3-15(22)13-4-6-14(18)7-5-13/h4-7,20H,2-3,8-12H2,1H3,(H2,19,23)
InChIKeyUWCGUBKBOZGZSK-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.33
Rot. Bonds7

About 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(methylamino)piperidine-4-carboxamide

1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(methylamino)piperidine-4-carboxamide (PubChem CID 10805726) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(methylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(methylamino)piperidine-4-carboxamide
PubChem CID10805726
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(methylamino)piperidine-4-carboxamide
SMILESCNC1(C(N)=O)CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O2/c1-20-17(16(19)23)8-11-21(12-9-17)10-2-3-15(22)13-4-6-14(18)7-5-13/h4-7,20H,2-3,8-12H2,1H3,(H2,19,23)
InChIKeyUWCGUBKBOZGZSK-UHFFFAOYSA-N
XLogP1.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(methylamino)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(methylamino)piperidine-4-carboxamide (CID 10805726) is 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(methylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(methylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(methylamino)piperidine-4-carboxamide is CNC1(C(N)=O)CCN(CCCC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(methylamino)piperidine-4-carboxamide?
The InChIKey is UWCGUBKBOZGZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-20-17(16(19)23)8-11-21(12-9-17)10-2-3-15(22)13-4-6-14(18)7-5-13/h4-7,20H,2-3,8-12H2,1H3,(H2,19,23).
What are the key properties of 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(methylamino)piperidine-4-carboxamide?
1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(methylamino)piperidine-4-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-(methylamino)piperidine-4-carboxamide is sourced from PubChem (CID 10805726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).