tert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate

C15H25NO3 — CID 114451411

IUPACtert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C(CC2CCC2)C1
InChIInChI=1S/C15H25NO3/c1-15(2,3)19-14(18)16-8-7-13(17)12(10-16)9-11-5-4-6-11/h11-12H,4-10H2,1-3H3
InChIKeyWYGSPQSGRLXIEM-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.00
Rot. Bonds2

About tert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate

tert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate (PubChem CID 114451411) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate
PubChem CID114451411
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C(CC2CCC2)C1
InChIInChI=1S/C15H25NO3/c1-15(2,3)19-14(18)16-8-7-13(17)12(10-16)9-11-5-4-6-11/h11-12H,4-10H2,1-3H3
InChIKeyWYGSPQSGRLXIEM-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(cyclopropylmethyl)-4-oxopyrrolidine-1-carboxylate
CID 178201142
tert-butyl 4-oxo-3-propylpiperidine-1-carboxylate
CID 57376569
tert-butyl 3-(2-hydroxy-2-methylpropyl)-4-oxopiperidine-1-carboxylate
CID 114451413
tert-butyl (3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-1-carboxylate
CID 67334474
tert-butyl 3-(2-hydroxyethyl)-4-oxoazepane-1-carboxylate
CID 83488579
tert-butyl 3-(3-methylbutyl)-4-oxopiperidine-1-carboxylate
CID 114451438
tert-butyl 3-(cyclobutanecarbonyl)-4-oxopiperidine-1-carboxylate
CID 121435468
tert-butyl 4-oxo-3-(3,3,3-trifluoropropyl)piperidine-1-carboxylate
CID 114451458
tert-butyl 3-[(E)-but-2-enyl]-4-oxopiperidine-1-carboxylate
CID 114451401
tert-butyl 3-amino-4-oxoazepane-1-carboxylate
CID 75355418
tert-butyl 4-oxo-3-[2-(oxolan-2-yl)ethyl]piperidine-1-carboxylate
CID 114451455
tert-butyl (3R)-3-cyclopentyl-4-oxopiperidine-1-carboxylate
CID 124601624

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate (CID 114451411) is tert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)C(CC2CCC2)C1.
What is the InChIKey of tert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate?
The InChIKey is WYGSPQSGRLXIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,3)19-14(18)16-8-7-13(17)12(10-16)9-11-5-4-6-11/h11-12H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate?
tert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(cyclobutylmethyl)-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 114451411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).