1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide

C15H20FN3O2 — CID 37273732

IUPAC1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide
SMILESCc1cc(F)ccc1NCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H20FN3O2/c1-10-8-12(16)2-3-13(10)18-9-14(20)19-6-4-11(5-7-19)15(17)21/h2-3,8,11,18H,4-7,9H2,1H3,(H2,17,21)
InChIKeyVMLITAQCRYWVCC-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.27
Rot. Bonds4

About 1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide

1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide (PubChem CID 37273732) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide
PubChem CID37273732
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide
SMILESCc1cc(F)ccc1NCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H20FN3O2/c1-10-8-12(16)2-3-13(10)18-9-14(20)19-6-4-11(5-7-19)15(17)21/h2-3,8,11,18H,4-7,9H2,1H3,(H2,17,21)
InChIKeyVMLITAQCRYWVCC-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide (CID 37273732) is 1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide is Cc1cc(F)ccc1NCC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide?
The InChIKey is VMLITAQCRYWVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10-8-12(16)2-3-13(10)18-9-14(20)19-6-4-11(5-7-19)15(17)21/h2-3,8,11,18H,4-7,9H2,1H3,(H2,17,21).
What are the key properties of 1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide?
1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 37273732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).