piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate

C16H31N3O4 — CID 175702306

IUPACpiperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)C(=O)OCN1CCCCC1
InChIInChI=1S/C16H31N3O4/c1-16(2,3)23-15(21)18(5)12-11-17(4)14(20)22-13-19-9-7-6-8-10-19/h6-13H2,1-5H3
InChIKeyXUZOTWVJPIBVLP-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.37
Rot. Bonds5

About piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate

piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate (PubChem CID 175702306) has the molecular formula C16H31N3O4 and a molecular weight of 329.44 g/mol. Its IUPAC name is piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Namepiperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
PubChem CID175702306
Molecular FormulaC16H31N3O4
Molecular Weight329.44 g/mol
Exact Mass329.23
IUPAC Namepiperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)C(=O)OCN1CCCCC1
InChIInChI=1S/C16H31N3O4/c1-16(2,3)23-15(21)18(5)12-11-17(4)14(20)22-13-19-9-7-6-8-10-19/h6-13H2,1-5H3
InChIKeyXUZOTWVJPIBVLP-UHFFFAOYSA-N
XLogP2.37
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-methyl-N-[2-[methyl(thiomorpholine-4-carbonyl)amino]ethyl]carbamate
CID 18988036
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
pyrrolidin-1-ylmethyl acetate
CID 23560806
tert-butyl N-(3-cyclohexylpropyl)-N-methylcarbamate
CID 91223647
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate
CID 174283241
tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate
CID 146498260
tert-butyl N-methyl-N-(3-trimethylsilylpropyl)carbamate
CID 159187536
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylpropanoate
CID 137320757
3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 6991933
tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate
CID 19753787
tert-butyl N-(3-amino-4,4-dimethylpentyl)-N-methylcarbamate
CID 155943485

Frequently Asked Questions

What is the IUPAC name of piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate?
The IUPAC name of piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate (CID 175702306) is piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate.
What is the SMILES notation for piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate?
The canonical SMILES for piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate is CN(CCN(C)C(=O)OC(C)(C)C)C(=O)OCN1CCCCC1.
What is the InChIKey of piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate?
The InChIKey is XUZOTWVJPIBVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O4/c1-16(2,3)23-15(21)18(5)12-11-17(4)14(20)22-13-19-9-7-6-8-10-19/h6-13H2,1-5H3.
What are the key properties of piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate?
piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate has a molecular weight of 329.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ylmethyl N-methyl-N-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 175702306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).