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

C20H24N4O4 — CID 24792915

IUPACbenzyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate
SMILESCC1CCN(C(=O)c2[nH]cnc2C(=O)NCC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H24N4O4/c1-14-7-9-24(10-8-14)20(27)18-17(22-13-23-18)19(26)21-11-16(25)28-12-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,21,26)(H,22,23)
InChIKeyVMHTXPIUNFJWRU-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.75
Rot. Bonds6

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

benzyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate (PubChem CID 24792915) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is benzyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate
PubChem CID24792915
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Namebenzyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate
SMILESCC1CCN(C(=O)c2[nH]cnc2C(=O)NCC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C20H24N4O4/c1-14-7-9-24(10-8-14)20(27)18-17(22-13-23-18)19(26)21-11-16(25)28-12-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,21,26)(H,22,23)
InChIKeyVMHTXPIUNFJWRU-UHFFFAOYSA-N
XLogP1.75
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate?
The IUPAC name of benzyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate (CID 24792915) is benzyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate?
The canonical SMILES for benzyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate is CC1CCN(C(=O)c2[nH]cnc2C(=O)NCC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate?
The InChIKey is VMHTXPIUNFJWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-14-7-9-24(10-8-14)20(27)18-17(22-13-23-18)19(26)21-11-16(25)28-12-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,21,26)(H,22,23).
What are the key properties of benzyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate?
benzyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate has a molecular weight of 384.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 24792915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).