tert-butyl 4-(5-cyclohexa-2,4-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine-1-carboxylate

C19H29N3O2 — CID 118297210

IUPACtert-butyl 4-(5-cyclohexa-2,4-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2C=C(C3C=CC=CC3)NC2)CC1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)21-11-9-16(10-12-21)22-13-17(20-14-22)15-7-5-4-6-8-15/h4-7,13,15-16,20H,8-12,14H2,1-3H3
InChIKeyKGEBCHSYYXJPFE-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.22
Rot. Bonds2

About tert-butyl 4-(5-cyclohexa-2,4-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(5-cyclohexa-2,4-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine-1-carboxylate (PubChem CID 118297210) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is tert-butyl 4-(5-cyclohexa-2,4-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-cyclohexa-2,4-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine-1-carboxylate
PubChem CID118297210
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Nametert-butyl 4-(5-cyclohexa-2,4-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2C=C(C3C=CC=CC3)NC2)CC1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)21-11-9-16(10-12-21)22-13-17(20-14-22)15-7-5-4-6-8-15/h4-7,13,15-16,20H,8-12,14H2,1-3H3
InChIKeyKGEBCHSYYXJPFE-UHFFFAOYSA-N
XLogP3.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-cyclohexa-2,4-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-cyclohexa-2,4-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine-1-carboxylate (CID 118297210) is tert-butyl 4-(5-cyclohexa-2,4-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-cyclohexa-2,4-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-cyclohexa-2,4-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2C=C(C3C=CC=CC3)NC2)CC1.
What is the InChIKey of tert-butyl 4-(5-cyclohexa-2,4-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine-1-carboxylate?
The InChIKey is KGEBCHSYYXJPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(2,3)24-18(23)21-11-9-16(10-12-21)22-13-17(20-14-22)15-7-5-4-6-8-15/h4-7,13,15-16,20H,8-12,14H2,1-3H3.
What are the key properties of tert-butyl 4-(5-cyclohexa-2,4-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-cyclohexa-2,4-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine-1-carboxylate has a molecular weight of 331.46 g/mol, XLogP of 3.22, 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-cyclohexa-2,4-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 118297210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).