N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyridine-4-carboxamide

C19H22FN3O — CID 23723985

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C19H22FN3O/c1-22(19(24)15-8-10-21-11-9-15)17-6-4-12-23(14-17)13-16-5-2-3-7-18(16)20/h2-3,5,7-11,17H,4,6,12-14H2,1H3
InChIKeyNCPOCSSDFMPHIS-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.96
Rot. Bonds4

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyridine-4-carboxamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyridine-4-carboxamide (PubChem CID 23723985) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyridine-4-carboxamide
PubChem CID23723985
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C19H22FN3O/c1-22(19(24)15-8-10-21-11-9-15)17-6-4-12-23(14-17)13-16-5-2-3-7-18(16)20/h2-3,5,7-11,17H,4,6,12-14H2,1H3
InChIKeyNCPOCSSDFMPHIS-UHFFFAOYSA-N
XLogP2.96
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyridine-4-carboxamide (CID 23723985) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccncc1)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyridine-4-carboxamide?
The InChIKey is NCPOCSSDFMPHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-22(19(24)15-8-10-21-11-9-15)17-6-4-12-23(14-17)13-16-5-2-3-7-18(16)20/h2-3,5,7-11,17H,4,6,12-14H2,1H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyridine-4-carboxamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyridine-4-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 23723985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).