N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide

C25H28FN3O2 — CID 20859955

IUPACN-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccccc1-c1nc(CN2CCCC(C(=O)NCc3ccc(F)cc3)C2)c(C)o1
InChIInChI=1S/C25H28FN3O2/c1-17-6-3-4-8-22(17)25-28-23(18(2)31-25)16-29-13-5-7-20(15-29)24(30)27-14-19-9-11-21(26)12-10-19/h3-4,6,8-12,20H,5,7,13-16H2,1-2H3,(H,27,30)
InChIKeyBBWWBWKPNLGNSX-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.63
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 20859955) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID20859955
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccccc1-c1nc(CN2CCCC(C(=O)NCc3ccc(F)cc3)C2)c(C)o1
InChIInChI=1S/C25H28FN3O2/c1-17-6-3-4-8-22(17)25-28-23(18(2)31-25)16-29-13-5-7-20(15-29)24(30)27-14-19-9-11-21(26)12-10-19/h3-4,6,8-12,20H,5,7,13-16H2,1-2H3,(H,27,30)
InChIKeyBBWWBWKPNLGNSX-UHFFFAOYSA-N
XLogP4.63
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 20860003
N-[(4-methoxyphenyl)methyl]-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 20860018
5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole
CID 45185948
(3R)-1-[(4-fluorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 94022035
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 20859848
(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 95868173
N-[2-(4-chlorophenyl)ethyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859836
(3R)-N-[(2-chlorophenyl)methyl]-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 92662505
N-[(4-fluorophenyl)methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175442
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 122175271
1-[(4-fluorophenyl)methyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133204271
(3R)-N,N-diethyl-1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 42214496

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide (CID 20859955) is N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide is Cc1ccccc1-c1nc(CN2CCCC(C(=O)NCc3ccc(F)cc3)C2)c(C)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is BBWWBWKPNLGNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-17-6-3-4-8-22(17)25-28-23(18(2)31-25)16-29-13-5-7-20(15-29)24(30)27-14-19-9-11-21(26)12-10-19/h3-4,6,8-12,20H,5,7,13-16H2,1-2H3,(H,27,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 20859955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).