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

C28H36N4O2 — CID 20859850

IUPACN-[3-(N-methylanilino)propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN(C)c3ccccc3)CC2)c(C)o1
InChIInChI=1S/C28H36N4O2/c1-21-10-7-8-13-25(21)28-30-26(22(2)34-28)20-32-18-14-23(15-19-32)27(33)29-16-9-17-31(3)24-11-5-4-6-12-24/h4-8,10-13,23H,9,14-20H2,1-3H3,(H,29,33)
InChIKeyKEOHFYHNLAGPLV-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.81
Rot. Bonds9

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

N-[3-(N-methylanilino)propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 20859850) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
PubChem CID20859850
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC NameN-[3-(N-methylanilino)propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN(C)c3ccccc3)CC2)c(C)o1
InChIInChI=1S/C28H36N4O2/c1-21-10-7-8-13-25(21)28-30-26(22(2)34-28)20-32-18-14-23(15-19-32)27(33)29-16-9-17-31(3)24-11-5-4-6-12-24/h4-8,10-13,23H,9,14-20H2,1-3H3,(H,29,33)
InChIKeyKEOHFYHNLAGPLV-UHFFFAOYSA-N
XLogP4.81
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-(N-methylanilino)propyl]piperidine-4-carboxamide
CID 20859831
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 71300339
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 20859848
N-[2-(4-chlorophenyl)ethyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859836
4-(dipropylamino)-1-[1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]butan-1-one
CID 159814123
N-[3-(azepan-1-yl)propyl]-1-[[5-methyl-2-(8-methylnaphthalen-1-yl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 126634770
N-[3-[butyl(methyl)amino]propyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859826
4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 129060912
N-butyl-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859816
N-butyl-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859867
N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[2-(2-fluoro-6-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 71660618
1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20859767

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide (CID 20859850) is N-[3-(N-methylanilino)propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide is Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN(C)c3ccccc3)CC2)c(C)o1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is KEOHFYHNLAGPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-21-10-7-8-13-25(21)28-30-26(22(2)34-28)20-32-18-14-23(15-19-32)27(33)29-16-9-17-31(3)24-11-5-4-6-12-24/h4-8,10-13,23H,9,14-20H2,1-3H3,(H,29,33).
What are the key properties of N-[3-(N-methylanilino)propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?
N-[3-(N-methylanilino)propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20859850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).