1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate

C73H91N11O9 — CID 158992619

IUPAC1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cn(C(=O)Oc4ccccc4)cn3)c2)CC1.CCC1CCN(Cc2ccccc2)CC1.CN(C(=O)n1cnc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C33H42N6O4.C26H28N4O5.C14H21N/c1-33(2,3)43-32(42)38-19-17-37(18-20-38)30(40)27-12-8-11-26(21-27)29-23-39(24-34-29)31(41)35(4)28-13-15-36(16-14-28)22-25-9-6-5-7-10-25;1-26(2,3)35-25(33)29-14-12-28(13-15-29)23(31)20-9-7-8-19(16-20)22-17-30(18-27-22)24(32)34-21-10-5-4-6-11-21;1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14/h5-12,21,23-24,28H,13-20,22H2,1-4H3;4-11,16-18H,12-15H2,1-3H3;3-7,13H,2,8-12H2,1H3
InChIKeyJQISZDUYOBGALS-UHFFFAOYSA-N
MW1266.60 g/mol
LogP12.41
Rot. Bonds11

About 1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate

1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate (PubChem CID 158992619) has the molecular formula C73H91N11O9 and a molecular weight of 1266.60 g/mol. Its IUPAC name is 1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate
PubChem CID158992619
Molecular FormulaC73H91N11O9
Molecular Weight1266.60 g/mol
Exact Mass1265.70
IUPAC Name1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cn(C(=O)Oc4ccccc4)cn3)c2)CC1.CCC1CCN(Cc2ccccc2)CC1.CN(C(=O)n1cnc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C33H42N6O4.C26H28N4O5.C14H21N/c1-33(2,3)43-32(42)38-19-17-37(18-20-38)30(40)27-12-8-11-26(21-27)29-23-39(24-34-29)31(41)35(4)28-13-15-36(16-14-28)22-25-9-6-5-7-10-25;1-26(2,3)35-25(33)29-14-12-28(13-15-29)23(31)20-9-7-8-19(16-20)22-17-30(18-27-22)24(32)34-21-10-5-4-6-11-21;1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14/h5-12,21,23-24,28H,13-20,22H2,1-4H3;4-11,16-18H,12-15H2,1-3H3;3-7,13H,2,8-12H2,1H3
InChIKeyJQISZDUYOBGALS-UHFFFAOYSA-N
XLogP12.41
TPSA188.43 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001266.60
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate?
The IUPAC name of 1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate (CID 158992619) is 1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for 1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for 1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(-c3cn(C(=O)Oc4ccccc4)cn3)c2)CC1.CCC1CCN(Cc2ccccc2)CC1.CN(C(=O)n1cnc(-c2cccc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate?
The InChIKey is JQISZDUYOBGALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O4.C26H28N4O5.C14H21N/c1-33(2,3)43-32(42)38-19-17-37(18-20-38)30(40)27-12-8-11-26(21-27)29-23-39(24-34-29)31(41)35(4)28-13-15-36(16-14-28)22-25-9-6-5-7-10-25;1-26(2,3)35-25(33)29-14-12-28(13-15-29)23(31)20-9-7-8-19(16-20)22-17-30(18-27-22)24(32)34-21-10-5-4-6-11-21;1-2-13-8-10-15(11-9-13)12-14-6-4-3-5-7-14/h5-12,21,23-24,28H,13-20,22H2,1-4H3;4-11,16-18H,12-15H2,1-3H3;3-7,13H,2,8-12H2,1H3.
What are the key properties of 1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate?
1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate has a molecular weight of 1266.60 g/mol, XLogP of 12.41, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 158992619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).