ethyl 4-(4-carbamoylpiperidin-1-yl)piperidine-1-carboxylate

C14H25N3O3 — CID 26458355

IUPACethyl 4-(4-carbamoylpiperidin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-2-20-14(19)17-9-5-12(6-10-17)16-7-3-11(4-8-16)13(15)18/h11-12H,2-10H2,1H3,(H2,15,18)
InChIKeyNEPNERQWLFMMSJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.80
Rot. Bonds3

About ethyl 4-(4-carbamoylpiperidin-1-yl)piperidine-1-carboxylate

ethyl 4-(4-carbamoylpiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 26458355) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 4-(4-carbamoylpiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-carbamoylpiperidin-1-yl)piperidine-1-carboxylate
PubChem CID26458355
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nameethyl 4-(4-carbamoylpiperidin-1-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-2-20-14(19)17-9-5-12(6-10-17)16-7-3-11(4-8-16)13(15)18/h11-12H,2-10H2,1H3,(H2,15,18)
InChIKeyNEPNERQWLFMMSJ-UHFFFAOYSA-N
XLogP0.80
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-carbamoylpiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-carbamoylpiperidin-1-yl)piperidine-1-carboxylate (CID 26458355) is ethyl 4-(4-carbamoylpiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-carbamoylpiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-carbamoylpiperidin-1-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC(C(N)=O)CC2)CC1.
What is the InChIKey of ethyl 4-(4-carbamoylpiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is NEPNERQWLFMMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-20-14(19)17-9-5-12(6-10-17)16-7-3-11(4-8-16)13(15)18/h11-12H,2-10H2,1H3,(H2,15,18).
What are the key properties of ethyl 4-(4-carbamoylpiperidin-1-yl)piperidine-1-carboxylate?
ethyl 4-(4-carbamoylpiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-carbamoylpiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 26458355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).