1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

C18H22FN5O3 — CID 45497724

IUPAC1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H22FN5O3/c1-12-21-17(27-23-12)10-20-18(26)13-6-8-24(9-7-13)11-16(25)22-15-4-2-14(19)3-5-15/h2-5,13H,6-11H2,1H3,(H,20,26)(H,22,25)
InChIKeyDOGAXGRUIHSWFX-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.48
Rot. Bonds6

About 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 45497724) has the molecular formula C18H22FN5O3 and a molecular weight of 375.40 g/mol. Its IUPAC name is 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID45497724
Molecular FormulaC18H22FN5O3
Molecular Weight375.40 g/mol
Exact Mass375.17
IUPAC Name1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H22FN5O3/c1-12-21-17(27-23-12)10-20-18(26)13-6-8-24(9-7-13)11-16(25)22-15-4-2-14(19)3-5-15/h2-5,13H,6-11H2,1H3,(H,20,26)(H,22,25)
InChIKeyDOGAXGRUIHSWFX-UHFFFAOYSA-N
XLogP1.48
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 45497724) is 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1noc(CNC(=O)C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is DOGAXGRUIHSWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O3/c1-12-21-17(27-23-12)10-20-18(26)13-6-8-24(9-7-13)11-16(25)22-15-4-2-14(19)3-5-15/h2-5,13H,6-11H2,1H3,(H,20,26)(H,22,25).
What are the key properties of 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoroanilino)-2-oxoethyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 45497724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).