tert-butyl 4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate

C15H27N3O3 — CID 23447514

IUPACtert-butyl 4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN2CCNCC2=O)CC1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)17-7-4-12(5-8-17)11-18-9-6-16-10-13(18)19/h12,16H,4-11H2,1-3H3
InChIKeyINVDYYQMJUKOSK-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.07
Rot. Bonds2

About tert-butyl 4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate

tert-butyl 4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate (PubChem CID 23447514) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl 4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate
PubChem CID23447514
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl 4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN2CCNCC2=O)CC1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)17-7-4-12(5-8-17)11-18-9-6-16-10-13(18)19/h12,16H,4-11H2,1-3H3
InChIKeyINVDYYQMJUKOSK-UHFFFAOYSA-N
XLogP1.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate (CID 23447514) is tert-butyl 4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CN2CCNCC2=O)CC1.
What is the InChIKey of tert-butyl 4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate?
The InChIKey is INVDYYQMJUKOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)17-7-4-12(5-8-17)11-18-9-6-16-10-13(18)19/h12,16H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 23447514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).