tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate

C15H26N2O3 — CID 158395553

IUPACtert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-15(2,3)20-14(19)16-12-9-11(10-12)13(18)17-7-5-4-6-8-17/h11-12H,4-10H2,1-3H3,(H,16,19)
InChIKeyXIRKRWDVVKZBRI-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.30
Rot. Bonds2

About tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate

tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate (PubChem CID 158395553) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
PubChem CID158395553
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-15(2,3)20-14(19)16-12-9-11(10-12)13(18)17-7-5-4-6-8-17/h11-12H,4-10H2,1-3H3,(H,16,19)
InChIKeyXIRKRWDVVKZBRI-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,3S)-3-(4-methylpiperazine-1-carbonyl)cyclohexyl]carbamate
CID 129306101
tert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate
CID 83007357
tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
CID 66925793
tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 156864323
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997
tert-butyl 3-(piperidine-1-carbonyl)azetidine-1-carboxylate
CID 166469666
tert-butyl N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]carbamate
CID 75994018
tert-butyl N-[3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759524
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 171397391
tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate
CID 83009142
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate (CID 158395553) is tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(C(=O)N2CCCCC2)C1.
What is the InChIKey of tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate?
The InChIKey is XIRKRWDVVKZBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2,3)20-14(19)16-12-9-11(10-12)13(18)17-7-5-4-6-8-17/h11-12H,4-10H2,1-3H3,(H,16,19).
What are the key properties of tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate?
tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate is sourced from PubChem (CID 158395553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).