tert-butyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate

C17H26N4O4 — CID 24789502

IUPACtert-butyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate
SMILESCC1CCN(C(=O)c2[nH]cnc2C(=O)NCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H26N4O4/c1-11-5-7-21(8-6-11)16(24)14-13(19-10-20-14)15(23)18-9-12(22)25-17(2,3)4/h10-11H,5-9H2,1-4H3,(H,18,23)(H,19,20)
InChIKeyNNZSUTDKSORGIT-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.35
Rot. Bonds4

About tert-butyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate

tert-butyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate (PubChem CID 24789502) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is tert-butyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate
PubChem CID24789502
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Nametert-butyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate
SMILESCC1CCN(C(=O)c2[nH]cnc2C(=O)NCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H26N4O4/c1-11-5-7-21(8-6-11)16(24)14-13(19-10-20-14)15(23)18-9-12(22)25-17(2,3)4/h10-11H,5-9H2,1-4H3,(H,18,23)(H,19,20)
InChIKeyNNZSUTDKSORGIT-UHFFFAOYSA-N
XLogP1.35
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate (CID 24789502) is tert-butyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate is CC1CCN(C(=O)c2[nH]cnc2C(=O)NCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate?
The InChIKey is NNZSUTDKSORGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-11-5-7-21(8-6-11)16(24)14-13(19-10-20-14)15(23)18-9-12(22)25-17(2,3)4/h10-11H,5-9H2,1-4H3,(H,18,23)(H,19,20).
What are the key properties of tert-butyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate?
tert-butyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate has a molecular weight of 350.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 24789502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).