N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide

C16H19FN4O — CID 119330858

IUPACN-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESCc1cnn(-c2ccc(NC(=O)C3CCCCN3)cc2F)c1
InChIInChI=1S/C16H19FN4O/c1-11-9-19-21(10-11)15-6-5-12(8-13(15)17)20-16(22)14-4-2-3-7-18-14/h5-6,8-10,14,18H,2-4,7H2,1H3,(H,20,22)
InChIKeyUWUKXAXWUUEHDI-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.40
Rot. Bonds3

About N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide

N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide (PubChem CID 119330858) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
PubChem CID119330858
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
SMILESCc1cnn(-c2ccc(NC(=O)C3CCCCN3)cc2F)c1
InChIInChI=1S/C16H19FN4O/c1-11-9-19-21(10-11)15-6-5-12(8-13(15)17)20-16(22)14-4-2-3-7-18-14/h5-6,8-10,14,18H,2-4,7H2,1H3,(H,20,22)
InChIKeyUWUKXAXWUUEHDI-UHFFFAOYSA-N
XLogP2.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60945171
(2S)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 61165185
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 146088881
(3R,4S)-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120934228
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]prop-2-enamide
CID 166408288
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]acetamide
CID 119796616
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 119313677
4-[[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122085082
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide (CID 119330858) is N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide is Cc1cnn(-c2ccc(NC(=O)C3CCCCN3)cc2F)c1.
What is the InChIKey of N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide?
The InChIKey is UWUKXAXWUUEHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-11-9-19-21(10-11)15-6-5-12(8-13(15)17)20-16(22)14-4-2-3-7-18-14/h5-6,8-10,14,18H,2-4,7H2,1H3,(H,20,22).
What are the key properties of N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide?
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119330858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).