ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate

C22H32N2O3 — CID 110413273

IUPACethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC(c2ccc(C)c(C)c2)C2CC2)CC1
InChIInChI=1S/C22H32N2O3/c1-4-27-22(26)24-11-9-19(10-12-24)23-21(25)14-20(17-7-8-17)18-6-5-15(2)16(3)13-18/h5-6,13,17,19-20H,4,7-12,14H2,1-3H3,(H,23,25)
InChIKeyIHMKFYDCNYWIJJ-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.92
Rot. Bonds6

About ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate

ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate (PubChem CID 110413273) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate
PubChem CID110413273
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Nameethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC(c2ccc(C)c(C)c2)C2CC2)CC1
InChIInChI=1S/C22H32N2O3/c1-4-27-22(26)24-11-9-19(10-12-24)23-21(25)14-20(17-7-8-17)18-6-5-15(2)16(3)13-18/h5-6,13,17,19-20H,4,7-12,14H2,1-3H3,(H,23,25)
InChIKeyIHMKFYDCNYWIJJ-UHFFFAOYSA-N
XLogP3.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43766193
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate (CID 110413273) is ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CC(c2ccc(C)c(C)c2)C2CC2)CC1.
What is the InChIKey of ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate?
The InChIKey is IHMKFYDCNYWIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-4-27-22(26)24-11-9-19(10-12-24)23-21(25)14-20(17-7-8-17)18-6-5-15(2)16(3)13-18/h5-6,13,17,19-20H,4,7-12,14H2,1-3H3,(H,23,25).
What are the key properties of ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate has a molecular weight of 372.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110413273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).