tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate

C17H33N3O4 — CID 90457113

IUPACtert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)NCCN(C(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C17H33N3O4/c1-16(2,3)23-14(21)19-11-12-20(13-7-9-18-10-8-13)15(22)24-17(4,5)6/h13,18H,7-12H2,1-6H3,(H,19,21)
InChIKeyATUJICNYPCQXJH-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.50
Rot. Bonds4

About tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate

tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate (PubChem CID 90457113) has the molecular formula C17H33N3O4 and a molecular weight of 343.47 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate
PubChem CID90457113
Molecular FormulaC17H33N3O4
Molecular Weight343.47 g/mol
Exact Mass343.25
IUPAC Nametert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)NCCN(C(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C17H33N3O4/c1-16(2,3)23-14(21)19-11-12-20(13-7-9-18-10-8-13)15(22)24-17(4,5)6/h13,18H,7-12H2,1-6H3,(H,19,21)
InChIKeyATUJICNYPCQXJH-UHFFFAOYSA-N
XLogP2.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid
CID 90205224
tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate
CID 113052169
tert-butyl N-cyclopropyl-N-[3-(piperidin-4-ylmethylamino)propyl]carbamate
CID 107242902
tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate
CID 113056745
tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 87304052
tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
CID 22120289
tert-butyl N-(3-fluoropropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 58365097
tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate
CID 163448402
tert-butyl N-[2-[(2-bromo-2-methylpropanoyl)-cyclohexylamino]ethyl]carbamate
CID 91537220
tert-butyl N-[3-(4-fluorophenyl)propyl]-N-piperidin-4-ylcarbamate
CID 156539010
tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-(pyrrolidin-3-ylmethyl)carbamate
CID 130191685
butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
CID 19020689

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate (CID 90457113) is tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate is CC(C)(C)OC(=O)NCCN(C(=O)OC(C)(C)C)C1CCNCC1.
What is the InChIKey of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate?
The InChIKey is ATUJICNYPCQXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O4/c1-16(2,3)23-14(21)19-11-12-20(13-7-9-18-10-8-13)15(22)24-17(4,5)6/h13,18H,7-12H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate?
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate has a molecular weight of 343.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 90457113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).