tert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate

C18H24N4O2 — CID 146167371

IUPACtert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccncc3)[nH]2)CC1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)24-17(23)22-10-6-14(7-11-22)16-20-12-15(21-16)13-4-8-19-9-5-13/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3,(H,20,21)
InChIKeyBVVOQQJMZCOXHE-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.59
Rot. Bonds2

About tert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate

tert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate (PubChem CID 146167371) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is tert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate
PubChem CID146167371
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Nametert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccncc3)[nH]2)CC1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)24-17(23)22-10-6-14(7-11-22)16-20-12-15(21-16)13-4-8-19-9-5-13/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3,(H,20,21)
InChIKeyBVVOQQJMZCOXHE-UHFFFAOYSA-N
XLogP3.59
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)piperidine-1-carboxylate
CID 136881552
tert-butyl (2S,4S)-2-methyl-4-[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 178128025
tert-butyl 3-[5-[4-(4-chloro-2-cyanophenyl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 151092002
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carboxylate
CID 22308646
tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine
CID 123647865
tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
CID 174174191
tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate
CID 66673725
tert-butyl 2-methyl-5-[5-[4-[4-[2-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 74409491
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 66780708
tert-butyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;hydrobromide
CID 66720422

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate (CID 146167371) is tert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ncc(-c3ccncc3)[nH]2)CC1.
What is the InChIKey of tert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate?
The InChIKey is BVVOQQJMZCOXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18(2,3)24-17(23)22-10-6-14(7-11-22)16-20-12-15(21-16)13-4-8-19-9-5-13/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate has a molecular weight of 328.42 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-pyridin-4-yl-1H-imidazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 146167371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).