[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate

C24H26N4O3 — CID 23887792

IUPAC[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
SMILESO=C(COC(=O)c1ccc(-c2ncc[nH]2)cc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H26N4O3/c29-22(27-21-10-14-28(15-11-21)16-18-4-2-1-3-5-18)17-31-24(30)20-8-6-19(7-9-20)23-25-12-13-26-23/h1-9,12-13,21H,10-11,14-17H2,(H,25,26)(H,27,29)
InChIKeyQIHYHJQKILGOSR-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.01
Rot. Bonds7

About [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate

[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate (PubChem CID 23887792) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate.

Molecular Properties

Compound Name[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
PubChem CID23887792
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
SMILESO=C(COC(=O)c1ccc(-c2ncc[nH]2)cc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H26N4O3/c29-22(27-21-10-14-28(15-11-21)16-18-4-2-1-3-5-18)17-31-24(30)20-8-6-19(7-9-20)23-25-12-13-26-23/h1-9,12-13,21H,10-11,14-17H2,(H,25,26)(H,27,29)
InChIKeyQIHYHJQKILGOSR-UHFFFAOYSA-N
XLogP3.01
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23999606
[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate
CID 16611260
[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 3-aminobenzoate
CID 23744527
[2-(2-chloroanilino)-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23999278
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
methyl 2-[[2-[4-(1H-imidazol-2-yl)benzoyl]oxyacetyl]amino]benzoate
CID 23943561
N-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide
CID 166316191
[2-(cyclopropylamino)-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 2489761
[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606533
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474

Frequently Asked Questions

What is the IUPAC name of [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
The IUPAC name of [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate (CID 23887792) is [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate.
What is the SMILES notation for [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
The canonical SMILES for [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate is O=C(COC(=O)c1ccc(-c2ncc[nH]2)cc1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
The InChIKey is QIHYHJQKILGOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-22(27-21-10-14-28(15-11-21)16-18-4-2-1-3-5-18)17-31-24(30)20-8-6-19(7-9-20)23-25-12-13-26-23/h1-9,12-13,21H,10-11,14-17H2,(H,25,26)(H,27,29).
What are the key properties of [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate?
[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate has a molecular weight of 418.50 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate is sourced from PubChem (CID 23887792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).