tert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate

C26H35N5O5 — CID 59292588

IUPACtert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate
SMILESCC(=O)N1CCCC(n2c(-c3ccccc3)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2=O)C1
InChIInChI=1S/C26H35N5O5/c1-18(32)30-12-8-11-20(17-30)31-22(19-9-6-5-7-10-19)21(27-24(31)34)23(33)28-13-15-29(16-14-28)25(35)36-26(2,3)4/h5-7,9-10,20H,8,11-17H2,1-4H3,(H,27,34)
InChIKeyNLPUVVREZXGZLL-UHFFFAOYSA-N
MW497.60 g/mol
LogP2.72
Rot. Bonds3

About tert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate

tert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate (PubChem CID 59292588) has the molecular formula C26H35N5O5 and a molecular weight of 497.60 g/mol. Its IUPAC name is tert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate
PubChem CID59292588
Molecular FormulaC26H35N5O5
Molecular Weight497.60 g/mol
Exact Mass497.26
IUPAC Nametert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate
SMILESCC(=O)N1CCCC(n2c(-c3ccccc3)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2=O)C1
InChIInChI=1S/C26H35N5O5/c1-18(32)30-12-8-11-20(17-30)31-22(19-9-6-5-7-10-19)21(27-24(31)34)23(33)28-13-15-29(16-14-28)25(35)36-26(2,3)4/h5-7,9-10,20H,8,11-17H2,1-4H3,(H,27,34)
InChIKeyNLPUVVREZXGZLL-UHFFFAOYSA-N
XLogP2.72
TPSA107.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methane;2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carboxylic acid
CID 158763138
4-[2-oxo-4-phenyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)-1H-imidazole-5-carbonyl]piperazine-1-carboxylic acid
CID 66829880
3-[2-oxo-4-phenyl-5-(piperazine-1-carbonyl)-1H-imidazol-3-yl]piperidine-1-carboxylic acid
CID 91352204
tert-butyl 4-[2-oxo-4-phenyl-3-[(1R,2R)-2-phenylmethoxycyclohexyl]-1H-imidazole-5-carbonyl]piperazine-1-carboxylate
CID 59292285
tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59918926
benzyl 3-(5-ethoxycarbonyl-2-oxo-4-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate
CID 59292287
tert-butyl 3-(hydroxymethyl)-4-(2-oxo-3,4-diphenyl-1H-imidazole-5-carbonyl)piperazine-1-carboxylate
CID 25000217
tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
CID 145271438
acetyl chloride;tert-butyl (3R)-3-(2-aminoanilino)piperidine-1-carboxylate;tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 160656647
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)azepane-1-carboxylate
CID 155679472
tert-butyl 3-(3-phenylphenyl)piperidine-1-carboxylate
CID 155788326

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate (CID 59292588) is tert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate is CC(=O)N1CCCC(n2c(-c3ccccc3)c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2=O)C1.
What is the InChIKey of tert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate?
The InChIKey is NLPUVVREZXGZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O5/c1-18(32)30-12-8-11-20(17-30)31-22(19-9-6-5-7-10-19)21(27-24(31)34)23(33)28-13-15-29(16-14-28)25(35)36-26(2,3)4/h5-7,9-10,20H,8,11-17H2,1-4H3,(H,27,34).
What are the key properties of tert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate?
tert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate has a molecular weight of 497.60 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(1-acetylpiperidin-3-yl)-2-oxo-4-phenyl-1H-imidazole-5-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 59292588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).