tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate

C23H27N3O3 — CID 18321429

IUPACtert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4ccccc4c3)[nH]c2=O)CC1
InChIInChI=1S/C23H27N3O3/c1-23(2,3)29-22(28)25-12-10-19(11-13-25)26-15-20(24-21(26)27)18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15,19H,10-13H2,1-3H3,(H,24,27)
InChIKeyRNYLCPUEKRAQSZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.57
Rot. Bonds2

About tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate (PubChem CID 18321429) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate
PubChem CID18321429
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Nametert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4ccccc4c3)[nH]c2=O)CC1
InChIInChI=1S/C23H27N3O3/c1-23(2,3)29-22(28)25-12-10-19(11-13-25)26-15-20(24-21(26)27)18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15,19H,10-13H2,1-3H3,(H,24,27)
InChIKeyRNYLCPUEKRAQSZ-UHFFFAOYSA-N
XLogP4.57
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3,5-dibromophenyl)-4-[4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]butane-1,4-dione
CID 21109757
tert-butyl 4-[6-(1-naphthalen-2-ylethylamino)-2,4-dioxo-1H-pyrimidin-3-yl]piperidine-1-carboxylate
CID 178165252
tert-butyl 4-(5-cyano-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate
CID 121209940
tert-butyl 4-[4-(6-aminonaphthalen-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 172677769
tert-butyl (2S,6R)-4-(cyclopropylmethyl)-5-oxo-6-[[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carbonyl]amino]-2-phenyl-1,4-diazepane-1-carboxylate
CID 11467775
tert-butyl 4-[[3-(hydroxyamino)-4-naphthalen-2-yl-2-pyridinyl]amino]piperidine-1-carboxylate
CID 143770885
5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one
CID 18321473
tert-butyl 4-[4-(6-bromonaphthalen-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 172868843
tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate
CID 171497821
tert-butyl 4-[2-cyclopropyl-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate
CID 90240395
(2S)-2-amino-3-oxo-3-phenylmethoxypropanoic acid;tert-butyl (3R)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate
CID 67648744
tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate
CID 91537808

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate (CID 18321429) is tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccc4ccccc4c3)[nH]c2=O)CC1.
What is the InChIKey of tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate?
The InChIKey is RNYLCPUEKRAQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-23(2,3)29-22(28)25-12-10-19(11-13-25)26-15-20(24-21(26)27)18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15,19H,10-13H2,1-3H3,(H,24,27).
What are the key properties of tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate has a molecular weight of 393.49 g/mol, XLogP of 4.57, 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-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 18321429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).