tert-butyl 4-[(5R)-5-(3-methylphenyl)-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate

C20H29N3O3 — CID 69494260

IUPACtert-butyl 4-[(5R)-5-(3-methylphenyl)-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate
SMILESCc1cccc([C@@H]2CNC(=O)N2C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C20H29N3O3/c1-14-6-5-7-15(12-14)17-13-21-18(24)23(17)16-8-10-22(11-9-16)19(25)26-20(2,3)4/h5-7,12,16-17H,8-11,13H2,1-4H3,(H,21,24)/t17-/m0/s1
InChIKeyIRBXSZZDAJXOOO-KRWDZBQOSA-N
MW359.47 g/mol
LogP3.46
Rot. Bonds2

About tert-butyl 4-[(5R)-5-(3-methylphenyl)-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[(5R)-5-(3-methylphenyl)-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate (PubChem CID 69494260) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is tert-butyl 4-[(5R)-5-(3-methylphenyl)-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5R)-5-(3-methylphenyl)-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate
PubChem CID69494260
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Nametert-butyl 4-[(5R)-5-(3-methylphenyl)-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate
SMILESCc1cccc([C@@H]2CNC(=O)N2C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C20H29N3O3/c1-14-6-5-7-15(12-14)17-13-21-18(24)23(17)16-8-10-22(11-9-16)19(25)26-20(2,3)4/h5-7,12,16-17H,8-11,13H2,1-4H3,(H,21,24)/t17-/m0/s1
InChIKeyIRBXSZZDAJXOOO-KRWDZBQOSA-N
XLogP3.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5R)-5-(3-methylphenyl)-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5R)-5-(3-methylphenyl)-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate (CID 69494260) is tert-butyl 4-[(5R)-5-(3-methylphenyl)-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5R)-5-(3-methylphenyl)-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5R)-5-(3-methylphenyl)-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate is Cc1cccc([C@@H]2CNC(=O)N2C2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-[(5R)-5-(3-methylphenyl)-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate?
The InChIKey is IRBXSZZDAJXOOO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-6-5-7-15(12-14)17-13-21-18(24)23(17)16-8-10-22(11-9-16)19(25)26-20(2,3)4/h5-7,12,16-17H,8-11,13H2,1-4H3,(H,21,24)/t17-/m0/s1.
What are the key properties of tert-butyl 4-[(5R)-5-(3-methylphenyl)-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[(5R)-5-(3-methylphenyl)-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5R)-5-(3-methylphenyl)-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 69494260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).