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

C24H31N3O3 — CID 46974085

IUPAC1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)C2CCC2)C1
InChIInChI=1S/C24H31N3O3/c1-3-25-23(29)24(12-5-13-27(16-24)22(28)19-6-4-7-19)15-20-14-21(26-30-20)18-10-8-17(2)9-11-18/h8-11,14,19H,3-7,12-13,15-16H2,1-2H3,(H,25,29)
InChIKeyULHGLRZCXOQJJX-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.74
Rot. Bonds6

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

1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 46974085) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID46974085
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)C2CCC2)C1
InChIInChI=1S/C24H31N3O3/c1-3-25-23(29)24(12-5-13-27(16-24)22(28)19-6-4-7-19)15-20-14-21(26-30-20)18-10-8-17(2)9-11-18/h8-11,14,19H,3-7,12-13,15-16H2,1-2H3,(H,25,29)
InChIKeyULHGLRZCXOQJJX-UHFFFAOYSA-N
XLogP3.74
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855480
(3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 95855546
ethyl (3R)-1-(cyclopropanecarbonyl)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 95853777
N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 46974043
(3R)-1-cyclopentyl-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 95855427
ethyl (3R)-1-(cyclopentanecarbonyl)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 95853755
ethyl (3S)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate
CID 92592803
(3R)-N-ethyl-1-(3-methylbutanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855475
(3R)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591833
(3S)-N-ethyl-1-ethylsulfonyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 51595538
(3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855453
(3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855471

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide (CID 46974085) is 1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide is CCNC(=O)C1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C(=O)C2CCC2)C1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is ULHGLRZCXOQJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-25-23(29)24(12-5-13-27(16-24)22(28)19-6-4-7-19)15-20-14-21(26-30-20)18-10-8-17(2)9-11-18/h8-11,14,19H,3-7,12-13,15-16H2,1-2H3,(H,25,29).
What are the key properties of 1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide?
1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 46974085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).