ethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate

C22H37N3O4 — CID 3230434

IUPACethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(NC(=O)NC3CCCCC3)CCCCC2)CC1
InChIInChI=1S/C22H37N3O4/c1-2-29-19(26)17-11-15-25(16-12-17)20(27)22(13-7-4-8-14-22)24-21(28)23-18-9-5-3-6-10-18/h17-18H,2-16H2,1H3,(H2,23,24,28)
InChIKeyNBHYCTSNPBOAAR-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.12
Rot. Bonds5

About ethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate

ethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate (PubChem CID 3230434) has the molecular formula C22H37N3O4 and a molecular weight of 407.56 g/mol. Its IUPAC name is ethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate
PubChem CID3230434
Molecular FormulaC22H37N3O4
Molecular Weight407.56 g/mol
Exact Mass407.28
IUPAC Nameethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(NC(=O)NC3CCCCC3)CCCCC2)CC1
InChIInChI=1S/C22H37N3O4/c1-2-29-19(26)17-11-15-25(16-12-17)20(27)22(13-7-4-8-14-22)24-21(28)23-18-9-5-3-6-10-18/h17-18H,2-16H2,1H3,(H2,23,24,28)
InChIKeyNBHYCTSNPBOAAR-UHFFFAOYSA-N
XLogP3.12
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate (CID 3230434) is ethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2(NC(=O)NC3CCCCC3)CCCCC2)CC1.
What is the InChIKey of ethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate?
The InChIKey is NBHYCTSNPBOAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O4/c1-2-29-19(26)17-11-15-25(16-12-17)20(27)22(13-7-4-8-14-22)24-21(28)23-18-9-5-3-6-10-18/h17-18H,2-16H2,1H3,(H2,23,24,28).
What are the key properties of ethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate?
ethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate has a molecular weight of 407.56 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(cyclohexylcarbamoylamino)cyclohexanecarbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 3230434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).