ethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate

C16H27N3O3 — CID 108912633

IUPACethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NC=C2CCCCC2)CC1
InChIInChI=1S/C16H27N3O3/c1-2-22-16(21)19-10-8-14(9-11-19)18-15(20)17-12-13-6-4-3-5-7-13/h12,14H,2-11H2,1H3,(H2,17,18,20)
InChIKeyOWNULROPBDVZCQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.75
Rot. Bonds3

About ethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate

ethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate (PubChem CID 108912633) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is ethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate
PubChem CID108912633
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Nameethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NC=C2CCCCC2)CC1
InChIInChI=1S/C16H27N3O3/c1-2-22-16(21)19-10-8-14(9-11-19)18-15(20)17-12-13-6-4-3-5-7-13/h12,14H,2-11H2,1H3,(H2,17,18,20)
InChIKeyOWNULROPBDVZCQ-UHFFFAOYSA-N
XLogP2.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate (CID 108912633) is ethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)NC=C2CCCCC2)CC1.
What is the InChIKey of ethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate?
The InChIKey is OWNULROPBDVZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-2-22-16(21)19-10-8-14(9-11-19)18-15(20)17-12-13-6-4-3-5-7-13/h12,14H,2-11H2,1H3,(H2,17,18,20).
What are the key properties of ethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate?
ethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclohexylidenemethylcarbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 108912633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).