[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate

C19H22N4O5 — CID 167930687

IUPAC[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate
SMILESCC(=O)N1CCC(NC(=O)COC(=O)c2cccc(-n3cc[nH]c3=O)c2)CC1
InChIInChI=1S/C19H22N4O5/c1-13(24)22-8-5-15(6-9-22)21-17(25)12-28-18(26)14-3-2-4-16(11-14)23-10-7-20-19(23)27/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3,(H,20,27)(H,21,25)
InChIKeyKWWPQUHRIYXMJH-UHFFFAOYSA-N
MW386.41 g/mol
LogP0.45
Rot. Bonds5

About [2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate

[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate (PubChem CID 167930687) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is [2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate.

Molecular Properties

Compound Name[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate
PubChem CID167930687
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate
SMILESCC(=O)N1CCC(NC(=O)COC(=O)c2cccc(-n3cc[nH]c3=O)c2)CC1
InChIInChI=1S/C19H22N4O5/c1-13(24)22-8-5-15(6-9-22)21-17(25)12-28-18(26)14-3-2-4-16(11-14)23-10-7-20-19(23)27/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3,(H,20,27)(H,21,25)
InChIKeyKWWPQUHRIYXMJH-UHFFFAOYSA-N
XLogP0.45
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(2-oxo-1H-imidazol-3-yl)benzoate
CID 172993340
[2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 4829050
[2-(cyclopropylamino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528872
[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 3-aminobenzoate
CID 23744527
[2-(methylamino)-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204522
[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282
ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
CID 34870859
ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003771
[2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 2511239
ethyl 4-[[2-[4-(4-fluorophenoxy)benzoyl]oxyacetyl]amino]piperidine-1-carboxylate
CID 24520834
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
methyl 3-(2-sulfanylidene-1H-imidazol-3-yl)benzoate
CID 155977251

Frequently Asked Questions

What is the IUPAC name of [2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate?
The IUPAC name of [2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate (CID 167930687) is [2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate.
What is the SMILES notation for [2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate?
The canonical SMILES for [2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate is CC(=O)N1CCC(NC(=O)COC(=O)c2cccc(-n3cc[nH]c3=O)c2)CC1.
What is the InChIKey of [2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate?
The InChIKey is KWWPQUHRIYXMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-13(24)22-8-5-15(6-9-22)21-17(25)12-28-18(26)14-3-2-4-16(11-14)23-10-7-20-19(23)27/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3,(H,20,27)(H,21,25).
What are the key properties of [2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate?
[2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate has a molecular weight of 386.41 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-acetylpiperidin-4-yl)amino]-2-oxoethyl] 3-(2-oxo-1H-imidazol-3-yl)benzoate is sourced from PubChem (CID 167930687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).