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

C27H40N4O2 — CID 20859848

IUPAC1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCCC(C)C3)CC2)c(C)o1
InChIInChI=1S/C27H40N4O2/c1-20-8-6-14-30(18-20)15-7-13-28-26(32)23-11-16-31(17-12-23)19-25-22(3)33-27(29-25)24-10-5-4-9-21(24)2/h4-5,9-10,20,23H,6-8,11-19H2,1-3H3,(H,28,32)
InChIKeyNFJVAOPWLITBOJ-UHFFFAOYSA-N
MW452.64 g/mol
LogP4.41
Rot. Bonds8

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

1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 20859848) has the molecular formula C27H40N4O2 and a molecular weight of 452.64 g/mol. Its IUPAC name is 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID20859848
Molecular FormulaC27H40N4O2
Molecular Weight452.64 g/mol
Exact Mass452.32
IUPAC Name1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCCC(C)C3)CC2)c(C)o1
InChIInChI=1S/C27H40N4O2/c1-20-8-6-14-30(18-20)15-7-13-28-26(32)23-11-16-31(17-12-23)19-25-22(3)33-27(29-25)24-10-5-4-9-21(24)2/h4-5,9-10,20,23H,6-8,11-19H2,1-3H3,(H,28,32)
InChIKeyNFJVAOPWLITBOJ-UHFFFAOYSA-N
XLogP4.41
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.64
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
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-[(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
N-[3-(N-methylanilino)propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859850
N-[2-(4-chlorophenyl)ethyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859836
N-[3-(azepan-1-yl)propyl]-1-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide
CID 45280479
4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 129060912
N-[3-(azepan-1-yl)propyl]-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 45280539
N-[3-(azepan-1-yl)propyl]-1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 45280478
N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20859955
5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-[1-[(5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pentan-1-one
CID 157186592
4-(dipropylamino)-1-[1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]butan-1-one
CID 159814123

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide (CID 20859848) is 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide is Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCCC(C)C3)CC2)c(C)o1.
What is the InChIKey of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is NFJVAOPWLITBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O2/c1-20-8-6-14-30(18-20)15-7-13-28-26(32)23-11-16-31(17-12-23)19-25-22(3)33-27(29-25)24-10-5-4-9-21(24)2/h4-5,9-10,20,23H,6-8,11-19H2,1-3H3,(H,28,32).
What are the key properties of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 452.64 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 20859848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).