benzyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate

C18H26N2O4 — CID 66741633

IUPACbenzyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)NN1CCC(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)19-20-11-9-15(10-12-20)16(21)23-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,22)
InChIKeyBMWNFMJZHDXGQJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.88
Rot. Bonds4

About benzyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate

benzyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate (PubChem CID 66741633) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is benzyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
PubChem CID66741633
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namebenzyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)NN1CCC(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)19-20-11-9-15(10-12-20)16(21)23-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,22)
InChIKeyBMWNFMJZHDXGQJ-UHFFFAOYSA-N
XLogP2.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate?
The IUPAC name of benzyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate (CID 66741633) is benzyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate.
What is the SMILES notation for benzyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate?
The canonical SMILES for benzyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate is CC(C)(C)OC(=O)NN1CCC(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate?
The InChIKey is BMWNFMJZHDXGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)19-20-11-9-15(10-12-20)16(21)23-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,22).
What are the key properties of benzyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate?
benzyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate is sourced from PubChem (CID 66741633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).