tert-butyl 4-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate

C24H31N5O6 — CID 24789489

IUPACtert-butyl 4-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2nc[nH]c2C(=O)NCC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C24H31N5O6/c1-24(2,3)35-23(33)29-11-9-17(10-12-29)28-22(32)20-19(26-15-27-20)21(31)25-13-18(30)34-14-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,25,31)(H,26,27)(H,28,32)
InChIKeyRKJJGBLQROYCLA-UHFFFAOYSA-N
MW485.54 g/mol
LogP2.01
Rot. Bonds7

About tert-butyl 4-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 24789489) has the molecular formula C24H31N5O6 and a molecular weight of 485.54 g/mol. Its IUPAC name is tert-butyl 4-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID24789489
Molecular FormulaC24H31N5O6
Molecular Weight485.54 g/mol
Exact Mass485.23
IUPAC Nametert-butyl 4-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2nc[nH]c2C(=O)NCC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C24H31N5O6/c1-24(2,3)35-23(33)29-11-9-17(10-12-29)28-22(32)20-19(26-15-27-20)21(31)25-13-18(30)34-14-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,25,31)(H,26,27)(H,28,32)
InChIKeyRKJJGBLQROYCLA-UHFFFAOYSA-N
XLogP2.01
TPSA142.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate (CID 24789489) is tert-butyl 4-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)c2nc[nH]c2C(=O)NCC(=O)OCc2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is RKJJGBLQROYCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O6/c1-24(2,3)35-23(33)29-11-9-17(10-12-29)28-22(32)20-19(26-15-27-20)21(31)25-13-18(30)34-14-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,25,31)(H,26,27)(H,28,32).
What are the key properties of tert-butyl 4-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 485.54 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]-1H-imidazole-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 24789489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).