tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate

C16H28N4O2 — CID 104951999

IUPACtert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate
SMILESCN1CCC(n2cncc2CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H28N4O2/c1-16(2,3)22-15(21)18-8-5-14-11-17-12-20(14)13-6-9-19(4)10-7-13/h11-13H,5-10H2,1-4H3,(H,18,21)
InChIKeyNQJXATHHEKDKFC-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.22
Rot. Bonds4

About tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate

tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate (PubChem CID 104951999) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate
PubChem CID104951999
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Nametert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate
SMILESCN1CCC(n2cncc2CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H28N4O2/c1-16(2,3)22-15(21)18-8-5-14-11-17-12-20(14)13-6-9-19(4)10-7-13/h11-13H,5-10H2,1-4H3,(H,18,21)
InChIKeyNQJXATHHEKDKFC-UHFFFAOYSA-N
XLogP2.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[3-(1,1-dioxothian-4-yl)imidazol-4-yl]ethyl]carbamate
CID 104952098
tert-butyl N-[2-[3-(3-ethyl-2-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate
CID 104952220
tert-butyl N-[2-[3-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]ethyl]carbamate
CID 104952122
tert-butyl N-[2-[3-(1-cyclobutylethyl)imidazol-4-yl]ethyl]carbamate
CID 114722724
tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate
CID 114717278
tert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate
CID 112754089
tert-butyl N-[2-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]carbamate
CID 104952142
tert-butyl N-[2-[3-[2-(oxan-2-yl)ethyl]imidazol-4-yl]ethyl]carbamate
CID 106000286
tert-butyl N-[2-[3-(2-methylprop-2-enyl)imidazol-4-yl]ethyl]carbamate
CID 114722685
tert-butyl N-[2-(3-prop-2-enylimidazol-4-yl)ethyl]carbamate
CID 102013627
tert-butyl N-[2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]ethyl]carbamate
CID 114722443
tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate
CID 114705588

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate (CID 104951999) is tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate is CN1CCC(n2cncc2CCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate?
The InChIKey is NQJXATHHEKDKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-16(2,3)22-15(21)18-8-5-14-11-17-12-20(14)13-6-9-19(4)10-7-13/h11-13H,5-10H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate?
tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate has a molecular weight of 308.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 104951999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).