tert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate;methane;piperidine

C22H43N3O3 — CID 142573502

IUPACtert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate;methane;piperidine
SMILESC.C1CCNCC1.CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H28N2O3.C5H11N.CH4/c1-16(2,3)21-15(20)18-11-7-13(8-12-18)14(19)17-9-5-4-6-10-17;1-2-4-6-5-3-1;/h13H,4-12H2,1-3H3;6H,1-5H2;1H4
InChIKeyAZOVVDXWXFIQOM-UHFFFAOYSA-N
MW397.60 g/mol
LogP4.04
Rot. Bonds1

About tert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate;methane;piperidine

tert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate;methane;piperidine (PubChem CID 142573502) has the molecular formula C22H43N3O3 and a molecular weight of 397.60 g/mol. Its IUPAC name is tert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate;methane;piperidine.

Molecular Properties

Compound Nametert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate;methane;piperidine
PubChem CID142573502
Molecular FormulaC22H43N3O3
Molecular Weight397.60 g/mol
Exact Mass397.33
IUPAC Nametert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate;methane;piperidine
SMILESC.C1CCNCC1.CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H28N2O3.C5H11N.CH4/c1-16(2,3)21-15(20)18-11-7-13(8-12-18)14(19)17-9-5-4-6-10-17;1-2-4-6-5-3-1;/h13H,4-12H2,1-3H3;6H,1-5H2;1H4
InChIKeyAZOVVDXWXFIQOM-UHFFFAOYSA-N
XLogP4.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.60
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 2757240
Tert-butyl 4-(piperazine-1-carbonyl)piperidine-1-carboxylate
CID 21839532
Tert-butyl 4-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 50986420
Tert-butyl 4-(piperidine-4-carbonyl)piperidine-1-carboxylate
CID 171521581
Tert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 5017254
Tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate
CID 3365779
N-Cyclohexyl 1-boc-piperidine-4-carboxamide
CID 4273089
tert-butyl N-[1-(piperidine-4-carbonyl)piperidin-4-yl]carbamate
CID 50986483
Tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate hydrochloride
CID 139026785
Tert-butyl 4-(piperidine-4-carbonyl)piperazine-1-carboxylate
CID 10803972
Tert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane
CID 170709342
Tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 3342289

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate;methane;piperidine?
The IUPAC name of tert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate;methane;piperidine (CID 142573502) is tert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate;methane;piperidine.
What is the SMILES notation for tert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate;methane;piperidine?
The canonical SMILES for tert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate;methane;piperidine is C.C1CCNCC1.CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate;methane;piperidine?
The InChIKey is AZOVVDXWXFIQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3.C5H11N.CH4/c1-16(2,3)21-15(20)18-11-7-13(8-12-18)14(19)17-9-5-4-6-10-17;1-2-4-6-5-3-1;/h13H,4-12H2,1-3H3;6H,1-5H2;1H4.
What are the key properties of tert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate;methane;piperidine?
tert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate;methane;piperidine has a molecular weight of 397.60 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate;methane;piperidine is sourced from PubChem (CID 142573502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).