N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide

C17H21FN4O — CID 120918675

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H21FN4O/c1-21(13-14-3-5-15(18)6-4-14)16(23)17(7-10-19-11-8-17)22-12-2-9-20-22/h2-6,9,12,19H,7-8,10-11,13H2,1H3
InChIKeyZJTUTFKEUVQKKX-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.76
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120918675) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120918675
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H21FN4O/c1-21(13-14-3-5-15(18)6-4-14)16(23)17(7-10-19-11-8-17)22-12-2-9-20-22/h2-6,9,12,19H,7-8,10-11,13H2,1H3
InChIKeyZJTUTFKEUVQKKX-UHFFFAOYSA-N
XLogP1.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918265
N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918668
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120929772
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931021
N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926302
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931181
N-(cyclopropylmethyl)-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926211
[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120930215
N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120934302
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925460
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120918675) is N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide is CN(Cc1ccc(F)cc1)C(=O)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is ZJTUTFKEUVQKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-21(13-14-3-5-15(18)6-4-14)16(23)17(7-10-19-11-8-17)22-12-2-9-20-22/h2-6,9,12,19H,7-8,10-11,13H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120918675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).