methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate

C15H23N3O3 — CID 8741891

IUPACmethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)NC2(C#N)CCCC2)CC1
InChIInChI=1S/C15H23N3O3/c1-21-14(20)12-4-8-18(9-5-12)10-13(19)17-15(11-16)6-2-3-7-15/h12H,2-10H2,1H3,(H,17,19)
InChIKeyHBXQJYUTXFQVDA-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.82
Rot. Bonds4

About methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate

methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 8741891) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID8741891
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)NC2(C#N)CCCC2)CC1
InChIInChI=1S/C15H23N3O3/c1-21-14(20)12-4-8-18(9-5-12)10-13(19)17-15(11-16)6-2-3-7-15/h12H,2-10H2,1H3,(H,17,19)
InChIKeyHBXQJYUTXFQVDA-UHFFFAOYSA-N
XLogP0.82
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate (CID 8741891) is methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC(=O)NC2(C#N)CCCC2)CC1.
What is the InChIKey of methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is HBXQJYUTXFQVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-21-14(20)12-4-8-18(9-5-12)10-13(19)17-15(11-16)6-2-3-7-15/h12H,2-10H2,1H3,(H,17,19).
What are the key properties of methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate?
methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8741891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).