ethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate

C24H30N2O3 — CID 45249170

IUPACethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CCCN(C(=O)Nc2cccc(C)c2C)C1
InChIInChI=1S/C24H30N2O3/c1-4-29-22(27)24(16-20-11-6-5-7-12-20)14-9-15-26(17-24)23(28)25-21-13-8-10-18(2)19(21)3/h5-8,10-13H,4,9,14-17H2,1-3H3,(H,25,28)
InChIKeyWGNWVHBFDNEOMI-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.72
Rot. Bonds5

About ethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate

ethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate (PubChem CID 45249170) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is ethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate
PubChem CID45249170
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Nameethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CCCN(C(=O)Nc2cccc(C)c2C)C1
InChIInChI=1S/C24H30N2O3/c1-4-29-22(27)24(16-20-11-6-5-7-12-20)14-9-15-26(17-24)23(28)25-21-13-8-10-18(2)19(21)3/h5-8,10-13H,4,9,14-17H2,1-3H3,(H,25,28)
InChIKeyWGNWVHBFDNEOMI-UHFFFAOYSA-N
XLogP4.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-3-benzyl-1-[(2-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 26411375
ethyl (3R)-3-benzyl-1-[(2-chloro-6-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 42396158
ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate
CID 45244971
ethyl (3R)-1-[(2-fluorophenyl)carbamoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 42564543
ethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate
CID 74324679
ethyl (3S)-1-[(3-acetylphenyl)carbamoyl]-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate
CID 25367651
ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(propan-2-ylcarbamoyl)piperidine-3-carboxylate
CID 26390875
ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxylate
CID 26321946
ethyl (3S)-1-[(2R)-2-amino-3-phenylmethoxypropanoyl]-3-benzylpiperidine-3-carboxylate
CID 10623867
ethyl (3S)-1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 42462822
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
ethyl (3S)-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 94172269

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate (CID 45249170) is ethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate is CCOC(=O)C1(Cc2ccccc2)CCCN(C(=O)Nc2cccc(C)c2C)C1.
What is the InChIKey of ethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate?
The InChIKey is WGNWVHBFDNEOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-29-22(27)24(16-20-11-6-5-7-12-20)14-9-15-26(17-24)23(28)25-21-13-8-10-18(2)19(21)3/h5-8,10-13H,4,9,14-17H2,1-3H3,(H,25,28).
What are the key properties of ethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate?
ethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate has a molecular weight of 394.52 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 45249170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).