3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide

C13H18FN3O — CID 79308057

IUPAC3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide
SMILESCc1cc(F)cc(NC2(C(N)=O)CCCNC2)c1
InChIInChI=1S/C13H18FN3O/c1-9-5-10(14)7-11(6-9)17-13(12(15)18)3-2-4-16-8-13/h5-7,16-17H,2-4,8H2,1H3,(H2,15,18)
InChIKeyCUKCFMSLABEHCC-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.15
Rot. Bonds3

About 3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide

3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide (PubChem CID 79308057) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide
PubChem CID79308057
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide
SMILESCc1cc(F)cc(NC2(C(N)=O)CCCNC2)c1
InChIInChI=1S/C13H18FN3O/c1-9-5-10(14)7-11(6-9)17-13(12(15)18)3-2-4-16-8-13/h5-7,16-17H,2-4,8H2,1H3,(H2,15,18)
InChIKeyCUKCFMSLABEHCC-UHFFFAOYSA-N
XLogP1.15
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromoanilino)piperidine-3-carboxamide
CID 79307348
1-ethyl-4-(3-fluoro-5-methylanilino)azepane-4-carboxamide
CID 79044709
3-(3-chloroanilino)piperidine-3-carboxamide
CID 79308455
3-(2-methylanilino)piperidine-3-carboxamide
CID 79308355
3-ethyl-N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79049943
4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide
CID 114499616
4-(3-fluoro-5-methylanilino)-2-propan-2-yloxane-4-carboxamide
CID 79044526
2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide
CID 79055143
1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54892073
1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide
CID 79049329
ethyl 4-(3-fluoro-5-methylanilino)oxepane-4-carboxylate
CID 79044727
3-cyclopropyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxylic acid
CID 79044460

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide?
The IUPAC name of 3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide (CID 79308057) is 3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide.
What is the SMILES notation for 3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide?
The canonical SMILES for 3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide is Cc1cc(F)cc(NC2(C(N)=O)CCCNC2)c1.
What is the InChIKey of 3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide?
The InChIKey is CUKCFMSLABEHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-9-5-10(14)7-11(6-9)17-13(12(15)18)3-2-4-16-8-13/h5-7,16-17H,2-4,8H2,1H3,(H2,15,18).
What are the key properties of 3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide?
3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide is sourced from PubChem (CID 79308057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).