ethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate

C20H29NO3 — CID 134999355

IUPACethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1C(=O)CCc1c(C)cc(C)cc1C
InChIInChI=1S/C20H29NO3/c1-5-24-20(23)18-8-6-7-11-21(18)19(22)10-9-17-15(3)12-14(2)13-16(17)4/h12-13,18H,5-11H2,1-4H3/t18-/m1/s1
InChIKeyZQHBYWIJNIAKFH-GOSISDBHSA-N
MW331.46 g/mol
LogP3.49
Rot. Bonds5

About ethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate

ethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate (PubChem CID 134999355) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is ethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate
PubChem CID134999355
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Nameethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1C(=O)CCc1c(C)cc(C)cc1C
InChIInChI=1S/C20H29NO3/c1-5-24-20(23)18-8-6-7-11-21(18)19(22)10-9-17-15(3)12-14(2)13-16(17)4/h12-13,18H,5-11H2,1-4H3/t18-/m1/s1
InChIKeyZQHBYWIJNIAKFH-GOSISDBHSA-N
XLogP3.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate
CID 4737355
ethyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80997012
ethyl (2R)-1-[2-(3-methyl-4-nitrobenzoyl)oxyacetyl]piperidine-2-carboxylate
CID 9199244
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 75925786
ethyl 1-(3-ethoxypropanoyl)pyrrolidine-2-carboxylate
CID 62591032
ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
CID 78915899
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 79035754
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate (CID 134999355) is ethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate is CCOC(=O)[C@H]1CCCCN1C(=O)CCc1c(C)cc(C)cc1C.
What is the InChIKey of ethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate?
The InChIKey is ZQHBYWIJNIAKFH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29NO3/c1-5-24-20(23)18-8-6-7-11-21(18)19(22)10-9-17-15(3)12-14(2)13-16(17)4/h12-13,18H,5-11H2,1-4H3/t18-/m1/s1.
What are the key properties of ethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate?
ethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate has a molecular weight of 331.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate is sourced from PubChem (CID 134999355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).