4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide

C14H20FN3O — CID 114499616

IUPAC4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide
SMILESCc1cc(F)cc(NC2(C(N)=O)CCNCC2C)c1
InChIInChI=1S/C14H20FN3O/c1-9-5-11(15)7-12(6-9)18-14(13(16)19)3-4-17-8-10(14)2/h5-7,10,17-18H,3-4,8H2,1-2H3,(H2,16,19)
InChIKeyLCRCEZXTGKBHQO-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.40
Rot. Bonds3

About 4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide

4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide (PubChem CID 114499616) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide
PubChem CID114499616
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide
SMILESCc1cc(F)cc(NC2(C(N)=O)CCNCC2C)c1
InChIInChI=1S/C14H20FN3O/c1-9-5-11(15)7-12(6-9)18-14(13(16)19)3-4-17-8-10(14)2/h5-7,10,17-18H,3-4,8H2,1-2H3,(H2,16,19)
InChIKeyLCRCEZXTGKBHQO-UHFFFAOYSA-N
XLogP1.40
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide?
The IUPAC name of 4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide (CID 114499616) is 4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide.
What is the SMILES notation for 4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide?
The canonical SMILES for 4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide is Cc1cc(F)cc(NC2(C(N)=O)CCNCC2C)c1.
What is the InChIKey of 4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide?
The InChIKey is LCRCEZXTGKBHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-9-5-11(15)7-12(6-9)18-14(13(16)19)3-4-17-8-10(14)2/h5-7,10,17-18H,3-4,8H2,1-2H3,(H2,16,19).
What are the key properties of 4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide?
4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide is sourced from PubChem (CID 114499616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).