[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate

C17H30N2O4 — CID 142779720

IUPAC[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate
SMILESCC(C)(C)OC(=O)NCC1CCN(COC(=O)C2CCC2)CC1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(21)18-11-13-7-9-19(10-8-13)12-22-15(20)14-5-4-6-14/h13-14H,4-12H2,1-3H3,(H,18,21)
InChIKeyQMFFVNAWDIBALZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.52
Rot. Bonds5

About [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate

[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate (PubChem CID 142779720) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate.

Molecular Properties

Compound Name[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate
PubChem CID142779720
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate
SMILESCC(C)(C)OC(=O)NCC1CCN(COC(=O)C2CCC2)CC1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(21)18-11-13-7-9-19(10-8-13)12-22-15(20)14-5-4-6-14/h13-14H,4-12H2,1-3H3,(H,18,21)
InChIKeyQMFFVNAWDIBALZ-UHFFFAOYSA-N
XLogP2.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate
CID 67232140
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397
acetic acid;tert-butyl N-[[1-(piperidin-1-ylmethyl)piperidin-4-yl]methyl]carbamate
CID 174671121
tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate
CID 53256365
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 141269835
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566396
tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
tert-butyl N-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]carbamate
CID 66565988
tert-butyl N-[[1-(2-chloroprop-2-enyl)piperidin-4-yl]methyl]carbamate
CID 71967835

Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate?
The IUPAC name of [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate (CID 142779720) is [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate.
What is the SMILES notation for [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate?
The canonical SMILES for [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate is CC(C)(C)OC(=O)NCC1CCN(COC(=O)C2CCC2)CC1.
What is the InChIKey of [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate?
The InChIKey is QMFFVNAWDIBALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-17(2,3)23-16(21)18-11-13-7-9-19(10-8-13)12-22-15(20)14-5-4-6-14/h13-14H,4-12H2,1-3H3,(H,18,21).
What are the key properties of [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate?
[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate has a molecular weight of 326.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclobutanecarboxylate is sourced from PubChem (CID 142779720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).