ethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate

C17H21N3O3 — CID 42553301

IUPACethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C17H21N3O3/c1-2-23-17(22)19-10-8-14(9-11-19)20-12-15(18-16(20)21)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,18,21)
InChIKeyRPAJKOOCLQUVJE-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.64
Rot. Bonds3

About ethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate

ethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate (PubChem CID 42553301) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate
PubChem CID42553301
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Nameethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C17H21N3O3/c1-2-23-17(22)19-10-8-14(9-11-19)20-12-15(18-16(20)21)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,18,21)
InChIKeyRPAJKOOCLQUVJE-UHFFFAOYSA-N
XLogP2.64
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate (CID 42553301) is ethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(n2cc(-c3ccccc3)[nH]c2=O)CC1.
What is the InChIKey of ethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate?
The InChIKey is RPAJKOOCLQUVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-23-17(22)19-10-8-14(9-11-19)20-12-15(18-16(20)21)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,18,21).
What are the key properties of ethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate?
ethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 42553301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).