2-[4-[[4-[6-[3-(2-aminoethoxy)-2-oxopropyl]-2-oxo-3H-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2-[4-[[4-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;tert-butyl N-[2-[2-oxo-3-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]propoxy]ethyl]carbamate;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid

C123H131N19O17 — CID 161322039

About 2-[4-[[4-[6-[3-(2-aminoethoxy)-2-oxopropyl]-2-oxo-3H-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2-[4-[[4-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;tert-butyl N-[2-[2-oxo-3-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]propoxy]ethyl]carbamate;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid

2-[4-[[4-[6-[3-(2-aminoethoxy)-2-oxopropyl]-2-oxo-3H-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2-[4-[[4-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;tert-butyl N-[2-[2-oxo-3-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]propoxy]ethyl]carbamate;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid (PubChem CID 161322039) has the molecular formula C123H131N19O17 and a molecular weight of 2147.52 g/mol. Its IUPAC name is 2-[4-[[4-[6-[3-(2-aminoethoxy)-2-oxopropyl]-2-oxo-3H-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2-[4-[[4-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;tert-butyl N-[2-[2-oxo-3-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]propoxy]ethyl]carbamate;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[[4-[6-[3-(2-aminoethoxy)-2-oxopropyl]-2-oxo-3H-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2-[4-[[4-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;tert-butyl N-[2-[2-oxo-3-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]propoxy]ethyl]carbamate;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid
• PubChem CID: 161322039
• Molecular Formula: C123H131N19O17
• Molecular Weight: 2147.52 g/mol
• Exact Mass: 2146.00
• IUPAC Name: 2-[4-[[4-[6-[3-(2-aminoethoxy)-2-oxopropyl]-2-oxo-3H-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2-[4-[[4-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;tert-butyl N-[2-[2-oxo-3-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]propoxy]ethyl]carbamate;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid
• SMILES: CC(C)(C)OC(=O)NCCOCC(=O)Cc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1.CC(C)(C)OC(=O)NCCOCC(=O)O.NCCOCC(=O)Cc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1.Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1
• InChI: InChI=1S/C43H46N6O6.C38H38N6O4.C33H30N6O2.C9H17NO5/c1-43(2,3)55-42(53)45-19-22-54-27-33(50)23-29-11-14-37-38(24-29)49(41(52)47-37)32-16-20-48(21-17-32)26-28-9-12-31(13-10-28)39-34(30-7-5-4-6-8-30)25-35-36(46-39)15-18-44-40(35)51;39-15-19-48-24-30(45)20-26-8-11-34-35(21-26)44(38(47)42-34)29-13-17-43(18-14-29)23-25-6-9-28(10-7-25)36-31(27-4-2-1-3-5-27)22-32-33(41-36)12-16-40-37(32)46;34-24-10-11-29-30(18-24)39(33(41)37-29)25-13-16-38(17-14-25)20-21-6-8-23(9-7-21)31-26(22-4-2-1-3-5-22)19-27-28(36-31)12-15-35-32(27)40;1-9(2,3)15-8(13)10-4-5-14-6-7(11)12/h4-15,18,24-25,32H,16-17,19-23,26-27H2,1-3H3,(H,44,51)(H,45,53)(H,47,52);1-12,16,21-22,29H,13-15,17-20,23-24,39H2,(H,40,46)(H,42,47);1-12,15,18-19,25H,13-14,16-17,20,34H2,(H,35,40)(H,37,41);4-6H2,1-3H3,(H,10,13)(H,11,12)
• InChIKey: VKGRSYSPCFEFGP-UHFFFAOYSA-N
• XLogP: 17.15
• TPSA: 488.17 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 33
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2147.52
LogP ≤ 5	17.15
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[6-[3-(2-aminoethoxy)-2-oxopropyl]-2-oxo-3H-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2-[4-[[4-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;tert-butyl N-[2-[2-oxo-3-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]propoxy]ethyl]carbamate;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid?

The IUPAC name of 2-[4-[[4-[6-[3-(2-aminoethoxy)-2-oxopropyl]-2-oxo-3H-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2-[4-[[4-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;tert-butyl N-[2-[2-oxo-3-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]propoxy]ethyl]carbamate;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid (CID 161322039) is 2-[4-[[4-[6-[3-(2-aminoethoxy)-2-oxopropyl]-2-oxo-3H-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2-[4-[[4-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;tert-butyl N-[2-[2-oxo-3-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]propoxy]ethyl]carbamate;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid.

What is the SMILES notation for 2-[4-[[4-[6-[3-(2-aminoethoxy)-2-oxopropyl]-2-oxo-3H-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2-[4-[[4-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;tert-butyl N-[2-[2-oxo-3-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]propoxy]ethyl]carbamate;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid?

The canonical SMILES for 2-[4-[[4-[6-[3-(2-aminoethoxy)-2-oxopropyl]-2-oxo-3H-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2-[4-[[4-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;tert-butyl N-[2-[2-oxo-3-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]propoxy]ethyl]carbamate;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid is CC(C)(C)OC(=O)NCCOCC(=O)Cc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1.CC(C)(C)OC(=O)NCCOCC(=O)O.NCCOCC(=O)Cc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1.Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1.

What is the InChIKey of 2-[4-[[4-[6-[3-(2-aminoethoxy)-2-oxopropyl]-2-oxo-3H-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2-[4-[[4-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;tert-butyl N-[2-[2-oxo-3-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]propoxy]ethyl]carbamate;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid?

The InChIKey is VKGRSYSPCFEFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46N6O6.C38H38N6O4.C33H30N6O2.C9H17NO5/c1-43(2,3)55-42(53)45-19-22-54-27-33(50)23-29-11-14-37-38(24-29)49(41(52)47-37)32-16-20-48(21-17-32)26-28-9-12-31(13-10-28)39-34(30-7-5-4-6-8-30)25-35-36(46-39)15-18-44-40(35)51;39-15-19-48-24-30(45)20-26-8-11-34-35(21-26)44(38(47)42-34)29-13-17-43(18-14-29)23-25-6-9-28(10-7-25)36-31(27-4-2-1-3-5-27)22-32-33(41-36)12-16-40-37(32)46;34-24-10-11-29-30(18-24)39(33(41)37-29)25-13-16-38(17-14-25)20-21-6-8-23(9-7-21)31-26(22-4-2-1-3-5-22)19-27-28(36-31)12-15-35-32(27)40;1-9(2,3)15-8(13)10-4-5-14-6-7(11)12/h4-15,18,24-25,32H,16-17,19-23,26-27H2,1-3H3,(H,44,51)(H,45,53)(H,47,52);1-12,16,21-22,29H,13-15,17-20,23-24,39H2,(H,40,46)(H,42,47);1-12,15,18-19,25H,13-14,16-17,20,34H2,(H,35,40)(H,37,41);4-6H2,1-3H3,(H,10,13)(H,11,12).

What are the key properties of 2-[4-[[4-[6-[3-(2-aminoethoxy)-2-oxopropyl]-2-oxo-3H-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2-[4-[[4-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;tert-butyl N-[2-[2-oxo-3-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]propoxy]ethyl]carbamate;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid?

2-[4-[[4-[6-[3-(2-aminoethoxy)-2-oxopropyl]-2-oxo-3H-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2-[4-[[4-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;tert-butyl N-[2-[2-oxo-3-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]propoxy]ethyl]carbamate;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid has a molecular weight of 2147.52 g/mol, XLogP of 17.15, 33 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[4-[6-[3-(2-aminoethoxy)-2-oxopropyl]-2-oxo-3H-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;2-[4-[[4-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one;tert-butyl N-[2-[2-oxo-3-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]propoxy]ethyl]carbamate;2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid is sourced from PubChem (CID 161322039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).