tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate

C15H27N3O3 — CID 50986435

IUPACtert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)N2CCNCC2)C1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-8-4-5-12(11-18)13(19)17-9-6-16-7-10-17/h12,16H,4-11H2,1-3H3
InChIKeyMCGRQQABSNLPCL-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.07
Rot. Bonds1

About tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate

tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 50986435) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate
PubChem CID50986435
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)N2CCNCC2)C1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-8-4-5-12(11-18)13(19)17-9-6-16-7-10-17/h12,16H,4-11H2,1-3H3
InChIKeyMCGRQQABSNLPCL-UHFFFAOYSA-N
XLogP1.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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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Related Compounds

tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 50986434
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
tert-butyl 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 20614161
tert-butyl 1,4-diazocane-1-carboxylate
CID 57366413
(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3S)-piperidine-3-carboxylic acid
CID 167543627
tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 129314371
tert-butyl (3R)-3-oxaldehydoylpiperidine-1-carboxylate
CID 171085627
tert-butyl (3S)-3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 95566430
tert-butyl 3-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 55461699
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid
CID 119028566
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate (CID 50986435) is tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCNCC2)C1.
What is the InChIKey of tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is MCGRQQABSNLPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-8-4-5-12(11-18)13(19)17-9-6-16-7-10-17/h12,16H,4-11H2,1-3H3.
What are the key properties of tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate?
tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 50986435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).