tert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate

C18H29N3O2 — CID 102970606

IUPACtert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate
SMILESCCC1CCc2[nH]c(C3CCCN(C(=O)OC(C)(C)C)C3)nc21
InChIInChI=1S/C18H29N3O2/c1-5-12-8-9-14-15(12)20-16(19-14)13-7-6-10-21(11-13)17(22)23-18(2,3)4/h12-13H,5-11H2,1-4H3,(H,19,20)
InChIKeyVOFWZXWCFXHEIA-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.96
Rot. Bonds2

About tert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate

tert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate (PubChem CID 102970606) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate
PubChem CID102970606
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate
SMILESCCC1CCc2[nH]c(C3CCCN(C(=O)OC(C)(C)C)C3)nc21
InChIInChI=1S/C18H29N3O2/c1-5-12-8-9-14-15(12)20-16(19-14)13-7-6-10-21(11-13)17(22)23-18(2,3)4/h12-13H,5-11H2,1-4H3,(H,19,20)
InChIKeyVOFWZXWCFXHEIA-UHFFFAOYSA-N
XLogP3.96
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66787018
tert-butyl 3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 57080110
tert-butyl 3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 75481436
tert-butyl (2S)-2-(4-methyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)pyrrolidine-1-carboxylate
CID 102970203
tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144
tert-butyl (3R)-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carboxylate
CID 95387218
tert-butyl (3R)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 100651003
tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170118913
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl (3S)-3-(2H-triazol-4-yl)azepane-1-carboxylate
CID 155904354
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl (3R)-3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 99808947

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate (CID 102970606) is tert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate is CCC1CCc2[nH]c(C3CCCN(C(=O)OC(C)(C)C)C3)nc21.
What is the InChIKey of tert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate?
The InChIKey is VOFWZXWCFXHEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-12-8-9-14-15(12)20-16(19-14)13-7-6-10-21(11-13)17(22)23-18(2,3)4/h12-13H,5-11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate?
tert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate has a molecular weight of 319.45 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-ethyl-1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 102970606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).