tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate

C16H29N3O3 — CID 50986434

IUPACtert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC(N)CC2)C1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-8-4-5-12(11-19)14(20)18-9-6-13(17)7-10-18/h12-13H,4-11,17H2,1-3H3
InChIKeyIDLASJBXNWOBRT-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.58
Rot. Bonds1

About tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate

tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 50986434) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID50986434
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC(N)CC2)C1
InChIInChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-8-4-5-12(11-19)14(20)18-9-6-13(17)7-10-18/h12-13H,4-11,17H2,1-3H3
InChIKeyIDLASJBXNWOBRT-UHFFFAOYSA-N
XLogP1.58
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate
CID 50986435
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 129314371
tert-butyl 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 20614161
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid
CID 119028566
tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
CID 82386816
[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride
CID 86767264
tert-butyl 3-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 69136429
(4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119376301
tert-butyl 3,4-diaminoazepane-1-carboxylate
CID 175539972
tert-butyl 3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 163346934

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate (CID 50986434) is tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC(N)CC2)C1.
What is the InChIKey of tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is IDLASJBXNWOBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-16(2,3)22-15(21)19-8-4-5-12(11-19)14(20)18-9-6-13(17)7-10-18/h12-13H,4-11,17H2,1-3H3.
What are the key properties of tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate?
tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 311.43 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 50986434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).