3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide

C28H33N3O4 — CID 11511250

IUPAC3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cccc1C1=NOC(C)(C(=O)NC2CC2)C1
InChIInChI=1S/C28H33N3O4/c1-28(27(33)29-21-11-12-21)18-24(30-35-28)22-9-6-10-23(25(22)34-2)26(32)31-15-13-20(14-16-31)17-19-7-4-3-5-8-19/h3-10,20-21H,11-18H2,1-2H3,(H,29,33)
InChIKeyXBJMOIMQDSNROW-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.95
Rot. Bonds7

About 3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide

3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 11511250) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID11511250
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cccc1C1=NOC(C)(C(=O)NC2CC2)C1
InChIInChI=1S/C28H33N3O4/c1-28(27(33)29-21-11-12-21)18-24(30-35-28)22-9-6-10-23(25(22)34-2)26(32)31-15-13-20(14-16-31)17-19-7-4-3-5-8-19/h3-10,20-21H,11-18H2,1-2H3,(H,29,33)
InChIKeyXBJMOIMQDSNROW-UHFFFAOYSA-N
XLogP3.95
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 11598301
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-tert-butyl-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 11669808
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 11596612
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-5-methyl-N-(3-morpholin-4-ylpropyl)-4H-1,2-oxazole-5-carboxamide
CID 143180178
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone
CID 28723214
N-benzyl-3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-N-ethyl-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 11670897
(2-aminophenyl)-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 119945201
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153
(4-benzylpiperidin-1-yl)-[4-[5-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-5-methyl-4H-1,2-oxazol-3-yl]phenyl]methanone
CID 11691660
(4-benzylpiperidin-1-yl)-(2-bromo-5-methoxyphenyl)methanone
CID 27553728
(4-benzylpiperidin-1-yl)-[2-(2-methoxyethylsulfanyl)phenyl]methanone
CID 2218441

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 11511250) is 3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide is COc1c(C(=O)N2CCC(Cc3ccccc3)CC2)cccc1C1=NOC(C)(C(=O)NC2CC2)C1.
What is the InChIKey of 3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is XBJMOIMQDSNROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-28(27(33)29-21-11-12-21)18-24(30-35-28)22-9-6-10-23(25(22)34-2)26(32)31-15-13-20(14-16-31)17-19-7-4-3-5-8-19/h3-10,20-21H,11-18H2,1-2H3,(H,29,33).
What are the key properties of 3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide?
3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-benzylpiperidine-1-carbonyl)-2-methoxyphenyl]-N-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 11511250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).