tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate

C14H25N3O3 — CID 71940585

IUPACtert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC2)CC1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-9-5-11(6-10-17)15-12(18)16-7-4-8-16/h11H,4-10H2,1-3H3,(H,15,18)
InChIKeyKCCAYWCGZIPNRK-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.80
Rot. Bonds1

About tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate

tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate (PubChem CID 71940585) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate
PubChem CID71940585
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC2)CC1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-9-5-11(6-10-17)15-12(18)16-7-4-8-16/h11H,4-10H2,1-3H3,(H,15,18)
InChIKeyKCCAYWCGZIPNRK-UHFFFAOYSA-N
XLogP1.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 53255659
tert-butyl 4-[[(4S)-4-methylazepane-1-carbonyl]amino]piperidine-1-carboxylate
CID 95041598
tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate
CID 126454930
tert-butyl 4-[(4-hydroxycyclohexyl)amino]azepane-1-carboxylate
CID 103980484
tert-butyl 4-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]piperazine-1-carboxylate
CID 51476594
tert-butyl 4-[(4-aminocyclohexyl)amino]azepane-1-carboxylate
CID 103982002
tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate
CID 48713065
propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 124559521
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
tert-butyl 4-(ethenylcarbamoylamino)piperidine-1-carboxylate
CID 108909382
tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 172898653

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate (CID 71940585) is tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)N2CCC2)CC1.
What is the InChIKey of tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate?
The InChIKey is KCCAYWCGZIPNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-9-5-11(6-10-17)15-12(18)16-7-4-8-16/h11H,4-10H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate?
tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 71940585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).