N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide

C28H32FN3O2 — CID 121412934

IUPACN-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide
SMILESCC(C)(COc1ccccc1)N(C(=O)C1CCNCC1)[C@@H](c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C28H32FN3O2/c1-28(2,20-34-24-8-4-3-5-9-24)32(27(33)22-15-18-30-19-16-22)26(25-10-6-7-17-31-25)21-11-13-23(29)14-12-21/h3-14,17,22,26,30H,15-16,18-20H2,1-2H3/t26-/m0/s1
InChIKeyWVXUXAZNKAMRBZ-SANMLTNESA-N
MW461.58 g/mol
LogP5.00
Rot. Bonds8

About N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide

N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide (PubChem CID 121412934) has the molecular formula C28H32FN3O2 and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide
PubChem CID121412934
Molecular FormulaC28H32FN3O2
Molecular Weight461.58 g/mol
Exact Mass461.25
IUPAC NameN-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide
SMILESCC(C)(COc1ccccc1)N(C(=O)C1CCNCC1)[C@@H](c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C28H32FN3O2/c1-28(2,20-34-24-8-4-3-5-9-24)32(27(33)22-15-18-30-19-16-22)26(25-10-6-7-17-31-25)21-11-13-23(29)14-12-21/h3-14,17,22,26,30H,15-16,18-20H2,1-2H3/t26-/m0/s1
InChIKeyWVXUXAZNKAMRBZ-SANMLTNESA-N
XLogP5.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121413387
N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 121413115
N-[2-(2-chlorophenoxy)ethyl]-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 121413065
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-(4-phenoxybutyl)piperidine-4-carboxamide
CID 121413426
N-[2-(2-fluorophenoxy)ethyl]-N-[(S)-(3-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 121413013
1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide
CID 126473148
N-[(S)-cyclohexyl(pyridin-2-yl)methyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121413046
N-[(S)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121413373
(1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100900530
N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine-4-carboxamide
CID 121413377
N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylcyclopentanecarboxamide
CID 95307336
N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 126471519

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide (CID 121412934) is N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide is CC(C)(COc1ccccc1)N(C(=O)C1CCNCC1)[C@@H](c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide?
The InChIKey is WVXUXAZNKAMRBZ-SANMLTNESA-N. The full InChI is InChI=1S/C28H32FN3O2/c1-28(2,20-34-24-8-4-3-5-9-24)32(27(33)22-15-18-30-19-16-22)26(25-10-6-7-17-31-25)21-11-13-23(29)14-12-21/h3-14,17,22,26,30H,15-16,18-20H2,1-2H3/t26-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide?
N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide has a molecular weight of 461.58 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121412934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).