1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-methoxy-4-nitro-2-prop-2-enylbenzene;4-nitro-2-prop-2-enylphenol

C90H104N14O15 — CID 158244620

About 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-methoxy-4-nitro-2-prop-2-enylbenzene;4-nitro-2-prop-2-enylphenol

1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-methoxy-4-nitro-2-prop-2-enylbenzene;4-nitro-2-prop-2-enylphenol (PubChem CID 158244620) has the molecular formula C90H104N14O15 and a molecular weight of 1621.90 g/mol. Its IUPAC name is 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-methoxy-4-nitro-2-prop-2-enylbenzene;4-nitro-2-prop-2-enylphenol.

Molecular Properties

• Compound Name: 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-methoxy-4-nitro-2-prop-2-enylbenzene;4-nitro-2-prop-2-enylphenol
• PubChem CID: 158244620
• Molecular Formula: C90H104N14O15
• Molecular Weight: 1621.90 g/mol
• Exact Mass: 1620.78
• IUPAC Name: 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-methoxy-4-nitro-2-prop-2-enylbenzene;4-nitro-2-prop-2-enylphenol
• SMILES: C=CCc1cc([N+](=O)[O-])ccc1O.C=CCc1cc([N+](=O)[O-])ccc1OC.COc1ccc(N)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1ccc(NC(C)=O)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1ccc([N+](=O)[O-])cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
• InChI: InChI=1S/C25H30N4O3.C23H26N4O4.C23H28N4O2.C10H11NO3.C9H9NO3/c1-17(30)27-21-5-6-24(32-2)19(15-21)7-11-28-12-9-22(10-13-28)29-14-8-18-3-4-20(25(26)31)16-23(18)29;1-31-22-5-4-20(27(29)30)14-17(22)6-10-25-11-8-19(9-12-25)26-13-7-16-2-3-18(23(24)28)15-21(16)26;1-29-22-5-4-19(24)14-17(22)6-10-26-11-8-20(9-12-26)27-13-7-16-2-3-18(23(25)28)15-21(16)27;1-3-4-8-7-9(11(12)13)5-6-10(8)14-2;1-2-3-7-6-8(10(12)13)4-5-9(7)11/h3-6,8,14-16,22H,7,9-13H2,1-2H3,(H2,26,31)(H,27,30);2-5,7,13-15,19H,6,8-12H2,1H3,(H2,24,28);2-5,7,13-15,20H,6,8-12,24H2,1H3,(H2,25,28);3,5-7H,1,4H2,2H3;2,4-6,11H,1,3H2
• InChIKey: GFYUGRQIBVUJDZ-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 395.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1621.90
LogP ≤ 5	14.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-methoxy-4-nitro-2-prop-2-enylbenzene;4-nitro-2-prop-2-enylphenol?

The IUPAC name of 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-methoxy-4-nitro-2-prop-2-enylbenzene;4-nitro-2-prop-2-enylphenol (CID 158244620) is 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-methoxy-4-nitro-2-prop-2-enylbenzene;4-nitro-2-prop-2-enylphenol.

What is the SMILES notation for 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-methoxy-4-nitro-2-prop-2-enylbenzene;4-nitro-2-prop-2-enylphenol?

The canonical SMILES for 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-methoxy-4-nitro-2-prop-2-enylbenzene;4-nitro-2-prop-2-enylphenol is C=CCc1cc([N+](=O)[O-])ccc1O.C=CCc1cc([N+](=O)[O-])ccc1OC.COc1ccc(N)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1ccc(NC(C)=O)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1ccc([N+](=O)[O-])cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.

What is the InChIKey of 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-methoxy-4-nitro-2-prop-2-enylbenzene;4-nitro-2-prop-2-enylphenol?

The InChIKey is GFYUGRQIBVUJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3.C23H26N4O4.C23H28N4O2.C10H11NO3.C9H9NO3/c1-17(30)27-21-5-6-24(32-2)19(15-21)7-11-28-12-9-22(10-13-28)29-14-8-18-3-4-20(25(26)31)16-23(18)29;1-31-22-5-4-20(27(29)30)14-17(22)6-10-25-11-8-19(9-12-25)26-13-7-16-2-3-18(23(24)28)15-21(16)26;1-29-22-5-4-19(24)14-17(22)6-10-26-11-8-20(9-12-26)27-13-7-16-2-3-18(23(25)28)15-21(16)27;1-3-4-8-7-9(11(12)13)5-6-10(8)14-2;1-2-3-7-6-8(10(12)13)4-5-9(7)11/h3-6,8,14-16,22H,7,9-13H2,1-2H3,(H2,26,31)(H,27,30);2-5,7,13-15,19H,6,8-12H2,1H3,(H2,24,28);2-5,7,13-15,20H,6,8-12,24H2,1H3,(H2,25,28);3,5-7H,1,4H2,2H3;2,4-6,11H,1,3H2.

What are the key properties of 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-methoxy-4-nitro-2-prop-2-enylbenzene;4-nitro-2-prop-2-enylphenol?

1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-methoxy-4-nitro-2-prop-2-enylbenzene;4-nitro-2-prop-2-enylphenol has a molecular weight of 1621.90 g/mol, XLogP of 14.69, 27 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-(5-acetamido-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-methoxy-4-nitro-2-prop-2-enylbenzene;4-nitro-2-prop-2-enylphenol is sourced from PubChem (CID 158244620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).