tert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate

C14H27N3O2 — CID 83007357

IUPACtert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NN2CCCCC2)C1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)15-11-9-12(10-11)16-17-7-5-4-6-8-17/h11-12,16H,4-10H2,1-3H3,(H,15,18)
InChIKeyNUXAOZLJFWLVFQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.03
Rot. Bonds3

About tert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate

tert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate (PubChem CID 83007357) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is tert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate
PubChem CID83007357
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nametert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NN2CCCCC2)C1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)15-11-9-12(10-11)16-17-7-5-4-6-8-17/h11-12,16H,4-10H2,1-3H3,(H,15,18)
InChIKeyNUXAOZLJFWLVFQ-UHFFFAOYSA-N
XLogP2.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate
CID 83009142
tert-butyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 158395553
tert-butyl 3-(piperidin-1-ylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103881761
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759524
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
CID 107239124
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate
CID 103759512
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
tert-butyl N-(3-carbamoylcyclohexyl)carbamate
CID 67324654
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate (CID 83007357) is tert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(NN2CCCCC2)C1.
What is the InChIKey of tert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate?
The InChIKey is NUXAOZLJFWLVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)15-11-9-12(10-11)16-17-7-5-4-6-8-17/h11-12,16H,4-10H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate has a molecular weight of 269.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(piperidin-1-ylamino)cyclobutyl]carbamate is sourced from PubChem (CID 83007357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).