tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate

C63H75N7O9 — CID 157140477

IUPACtert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate
SMILESCCC1CCN(C(=O)OC(C)(C)C)CC1.CN(C(=O)n1cnc(-c2ccc(OCc3ccccc3)cc2)c1)C1CCN(C(=O)OC(C)(C)C)CC1.O=C(Oc1ccccc1)n1cnc(-c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C28H34N4O4.C23H18N2O3.C12H23NO2/c1-28(2,3)36-27(34)31-16-14-23(15-17-31)30(4)26(33)32-18-25(29-20-32)22-10-12-24(13-11-22)35-19-21-8-6-5-7-9-21;26-23(28-21-9-5-2-6-10-21)25-15-22(24-17-25)19-11-13-20(14-12-19)27-16-18-7-3-1-4-8-18;1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4/h5-13,18,20,23H,14-17,19H2,1-4H3;1-15,17H,16H2;10H,5-9H2,1-4H3
InChIKeyAKDAKWDMKAJMDC-UHFFFAOYSA-N
MW1074.33 g/mol
LogP13.65
Rot. Bonds11

About tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate

tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate (PubChem CID 157140477) has the molecular formula C63H75N7O9 and a molecular weight of 1074.33 g/mol. Its IUPAC name is tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate
PubChem CID157140477
Molecular FormulaC63H75N7O9
Molecular Weight1074.33 g/mol
Exact Mass1073.56
IUPAC Nametert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate
SMILESCCC1CCN(C(=O)OC(C)(C)C)CC1.CN(C(=O)n1cnc(-c2ccc(OCc3ccccc3)cc2)c1)C1CCN(C(=O)OC(C)(C)C)CC1.O=C(Oc1ccccc1)n1cnc(-c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C28H34N4O4.C23H18N2O3.C12H23NO2/c1-28(2,3)36-27(34)31-16-14-23(15-17-31)30(4)26(33)32-18-25(29-20-32)22-10-12-24(13-11-22)35-19-21-8-6-5-7-9-21;26-23(28-21-9-5-2-6-10-21)25-15-22(24-17-25)19-11-13-20(14-12-19)27-16-18-7-3-1-4-8-18;1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4/h5-13,18,20,23H,14-17,19H2,1-4H3;1-15,17H,16H2;10H,5-9H2,1-4H3
InChIKeyAKDAKWDMKAJMDC-UHFFFAOYSA-N
XLogP13.65
TPSA159.79 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001074.33
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate with MolForge

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Related Compounds

2-[4-(4-Ethoxyphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71585718
1-Piperidinecarboxylic acid, 4-[1-(2-phenyl-1H-benzimidazol-1-yl)-2-[4-[1-(phenylmethyl)-1H-benzimidazol-2-yl]phenoxy]ethyl]-, 1,1-dimethylethyl ester
CID 73292901
Tert-butyl 2-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrole-1-carboxylate
CID 44538700
trans-{4-[8-Amino-1-(4-phenoxy-phenyl)-imidazo[1,5-a]pyrazin-3-yl]-cyclohexylmethyl}-carbamic acid benzyl ester
CID 44539092
1-(t-Butyloxycarbonyl)-5-(4-fluorophenyl)-2-(4-phenoxyphenyl)-4-(4-pyridyl)imidazole
CID 15435340
Tert-butyl 4-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]piperidine-1-carboxylate
CID 18536616
Tert-butyl 2-[4-(4-fluorophenyl)-5-[2-(4-methylphenoxy)pyrimidin-4-yl]imidazol-1-yl]piperidine-1-carboxylate
CID 18536623
Tert-butyl 2-[4-(4-fluorophenyl)-5-[2-(4-propan-2-ylphenoxy)pyrimidin-4-yl]imidazol-1-yl]piperidine-1-carboxylate
CID 18536642
Tert-butyl 2-[4-(4-fluorophenyl)-5-[2-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]imidazol-1-yl]piperidine-1-carboxylate
CID 18536656
Tert-butyl 2-[5-[2-(4-tert-butylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate
CID 18536659
Tert-butyl 2-[5-[2-(2,4-dimethylphenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate
CID 18536666
1-(1-t-Butoxycarbonyl-4-piperidinyl)-4-(4-fluorophenyl)-5-(2-phenoxy-4-pyridinyl)imidazole
CID 21830616

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate?
The IUPAC name of tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate (CID 157140477) is tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate is CCC1CCN(C(=O)OC(C)(C)C)CC1.CN(C(=O)n1cnc(-c2ccc(OCc3ccccc3)cc2)c1)C1CCN(C(=O)OC(C)(C)C)CC1.O=C(Oc1ccccc1)n1cnc(-c2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate?
The InChIKey is AKDAKWDMKAJMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4.C23H18N2O3.C12H23NO2/c1-28(2,3)36-27(34)31-16-14-23(15-17-31)30(4)26(33)32-18-25(29-20-32)22-10-12-24(13-11-22)35-19-21-8-6-5-7-9-21;26-23(28-21-9-5-2-6-10-21)25-15-22(24-17-25)19-11-13-20(14-12-19)27-16-18-7-3-1-4-8-18;1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4/h5-13,18,20,23H,14-17,19H2,1-4H3;1-15,17H,16H2;10H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate?
tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate has a molecular weight of 1074.33 g/mol, XLogP of 13.65, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 4-[methyl-[4-(4-phenylmethoxyphenyl)imidazole-1-carbonyl]amino]piperidine-1-carboxylate;phenyl 4-(4-phenylmethoxyphenyl)imidazole-1-carboxylate is sourced from PubChem (CID 157140477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).