N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide

C27H28FN3O2 — CID 42868042

IUPACN-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CCN(C(=O)Cc3ccccc3)CC2)n1
InChIInChI=1S/C27H28FN3O2/c1-19-7-12-24(27(33)29-18-21-8-10-23(28)11-9-21)26(30-19)22-13-15-31(16-14-22)25(32)17-20-5-3-2-4-6-20/h2-12,22H,13-18H2,1H3,(H,29,33)
InChIKeyJELITBMHFBLURO-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.41
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 42868042) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID42868042
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC NameN-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CCN(C(=O)Cc3ccccc3)CC2)n1
InChIInChI=1S/C27H28FN3O2/c1-19-7-12-24(27(33)29-18-21-8-10-23(28)11-9-21)26(30-19)22-13-15-31(16-14-22)25(32)17-20-5-3-2-4-6-20/h2-12,22H,13-18H2,1H3,(H,29,33)
InChIKeyJELITBMHFBLURO-UHFFFAOYSA-N
XLogP4.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,6-dimethyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868064
N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868008
2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069124
N-[(4-fluorophenyl)methyl]-2-[1-(3-methoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852023
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42852242
2-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 3436160
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46044834
2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 46068506
2-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069044
N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 3434027
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867314
6-methyl-2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3761621

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide (CID 42868042) is N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CCN(C(=O)Cc3ccccc3)CC2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is JELITBMHFBLURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c1-19-7-12-24(27(33)29-18-21-8-10-23(28)11-9-21)26(30-19)22-13-15-31(16-14-22)25(32)17-20-5-3-2-4-6-20/h2-12,22H,13-18H2,1H3,(H,29,33).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 42868042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).