tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate

C15H28N2O2 — CID 53256365

IUPACtert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(C2CCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)16-11-12-7-9-17(10-8-12)13-5-4-6-13/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyWOJWUPNNILTLSP-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.78
Rot. Bonds3

About tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate

tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate (PubChem CID 53256365) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate
PubChem CID53256365
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(C2CCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)16-11-12-7-9-17(10-8-12)13-5-4-6-13/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyWOJWUPNNILTLSP-UHFFFAOYSA-N
XLogP2.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide
CID 16895618
tert-butyl N-[3-[(1-cyclobutylpiperidin-4-yl)amino]-3-oxopropyl]carbamate
CID 122152143
tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
CID 20801241
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397
tert-butyl N-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]carbamate
CID 10800963
tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate
CID 53256443
[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate
CID 142779720
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
tert-butyl N-[(1-ethylsulfanylpiperidin-4-yl)methyl]carbamate
CID 130293559
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate (CID 53256365) is tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(C2CCC2)CC1.
What is the InChIKey of tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate?
The InChIKey is WOJWUPNNILTLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)16-11-12-7-9-17(10-8-12)13-5-4-6-13/h12-13H,4-11H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate?
tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate has a molecular weight of 268.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 53256365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).