ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

C24H32N2O4 — CID 24819182

IUPACethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2C)CCCN(C(=O)CCc2c(C)noc2C)C1
InChIInChI=1S/C24H32N2O4/c1-5-29-23(28)24(15-20-10-7-6-9-17(20)2)13-8-14-26(16-24)22(27)12-11-21-18(3)25-30-19(21)4/h6-7,9-10H,5,8,11-16H2,1-4H3
InChIKeyAXOSGHKJKLYGQU-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.95
Rot. Bonds7

About ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate (PubChem CID 24819182) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
PubChem CID24819182
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Nameethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2C)CCCN(C(=O)CCc2c(C)noc2C)C1
InChIInChI=1S/C24H32N2O4/c1-5-29-23(28)24(15-20-10-7-6-9-17(20)2)13-8-14-26(16-24)22(27)12-11-21-18(3)25-30-19(21)4/h6-7,9-10H,5,8,11-16H2,1-4H3
InChIKeyAXOSGHKJKLYGQU-UHFFFAOYSA-N
XLogP3.95
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate (CID 24819182) is ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate is CCOC(=O)C1(Cc2ccccc2C)CCCN(C(=O)CCc2c(C)noc2C)C1.
What is the InChIKey of ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate?
The InChIKey is AXOSGHKJKLYGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-5-29-23(28)24(15-20-10-7-6-9-17(20)2)13-8-14-26(16-24)22(27)12-11-21-18(3)25-30-19(21)4/h6-7,9-10H,5,8,11-16H2,1-4H3.
What are the key properties of ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate?
ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate has a molecular weight of 412.53 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 24819182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).