1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide

C15H21F2N3O — CID 63076453

IUPAC1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide
SMILESCNCc1cc(F)c(N2CC(C(N)=O)CCC2C)c(F)c1
InChIInChI=1S/C15H21F2N3O/c1-9-3-4-11(15(18)21)8-20(9)14-12(16)5-10(7-19-2)6-13(14)17/h5-6,9,11,19H,3-4,7-8H2,1-2H3,(H2,18,21)
InChIKeyZFFJVANHYTVRTG-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.77
Rot. Bonds4

About 1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide

1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide (PubChem CID 63076453) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide
PubChem CID63076453
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide
SMILESCNCc1cc(F)c(N2CC(C(N)=O)CCC2C)c(F)c1
InChIInChI=1S/C15H21F2N3O/c1-9-3-4-11(15(18)21)8-20(9)14-12(16)5-10(7-19-2)6-13(14)17/h5-6,9,11,19H,3-4,7-8H2,1-2H3,(H2,18,21)
InChIKeyZFFJVANHYTVRTG-UHFFFAOYSA-N
XLogP1.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[3-fluoro-5-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide
CID 106530891
1-(4-amino-2-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 54989494
1-(2-amino-4-chloro-5-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 66077237
1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
CID 80806637
1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide
CID 106530749
2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid
CID 114845026
1-[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]-N-methylmethanamine
CID 63051245
1-[4-(aminomethyl)-6-methyl-2-pyridinyl]-6-methylpiperidine-3-carboxamide
CID 114765163
1-(2-carbamothioyl-3-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 79513892
2-amino-6-(5-carbamoyl-2-methylpiperidin-1-yl)-3-fluorobenzoic acid
CID 83205781
(3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 99857723
1-[3,5-difluoro-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-N-methylmethanamine
CID 63078033

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide (CID 63076453) is 1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide is CNCc1cc(F)c(N2CC(C(N)=O)CCC2C)c(F)c1.
What is the InChIKey of 1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is ZFFJVANHYTVRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-9-3-4-11(15(18)21)8-20(9)14-12(16)5-10(7-19-2)6-13(14)17/h5-6,9,11,19H,3-4,7-8H2,1-2H3,(H2,18,21).
What are the key properties of 1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide?
1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63076453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).