N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C22H31N3O2 — CID 55717679

IUPACN-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCC1CCCN(CCCCNC(=O)CCc2ncc(-c3ccccc3)o2)C1
InChIInChI=1S/C22H31N3O2/c1-18-8-7-15-25(17-18)14-6-5-13-23-21(26)11-12-22-24-16-20(27-22)19-9-3-2-4-10-19/h2-4,9-10,16,18H,5-8,11-15,17H2,1H3,(H,23,26)
InChIKeyLGMQAUDOXVYRNZ-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.90
Rot. Bonds9

About N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 55717679) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID55717679
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCC1CCCN(CCCCNC(=O)CCc2ncc(-c3ccccc3)o2)C1
InChIInChI=1S/C22H31N3O2/c1-18-8-7-15-25(17-18)14-6-5-13-23-21(26)11-12-22-24-16-20(27-22)19-9-3-2-4-10-19/h2-4,9-10,16,18H,5-8,11-15,17H2,1H3,(H,23,26)
InChIKeyLGMQAUDOXVYRNZ-UHFFFAOYSA-N
XLogP3.90
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide
CID 55715690
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 35418539
N-[2-(2-methylcyclohexyl)oxyethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55717389
4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119390880
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 3242957
N-(4-methylcyclohexyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18136349
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94793728
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94793725
N-(1-methylpiperidin-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30901827
N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119505974
5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
CID 119235078
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30822933

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 55717679) is N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is CC1CCCN(CCCCNC(=O)CCc2ncc(-c3ccccc3)o2)C1.
What is the InChIKey of N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is LGMQAUDOXVYRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-18-8-7-15-25(17-18)14-6-5-13-23-21(26)11-12-22-24-16-20(27-22)19-9-3-2-4-10-19/h2-4,9-10,16,18H,5-8,11-15,17H2,1H3,(H,23,26).
What are the key properties of N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 369.51 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 55717679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).