1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide

C50H62N6O6 — CID 158429681

IUPAC1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1cccc(O)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1cccc(OCC(C)C)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C27H35N3O3.C23H27N3O3/c1-19(2)18-33-26-6-4-5-25(32-3)23(26)12-15-29-13-10-22(11-14-29)30-16-9-20-7-8-21(27(28)31)17-24(20)30;1-29-22-4-2-3-21(27)19(22)10-13-25-11-8-18(9-12-25)26-14-7-16-5-6-17(23(24)28)15-20(16)26/h4-9,16-17,19,22H,10-15,18H2,1-3H3,(H2,28,31);2-7,14-15,18,27H,8-13H2,1H3,(H2,24,28)
InChIKeyHBMUCJAJBXJWOD-UHFFFAOYSA-N
MW843.08 g/mol
LogP8.00
Rot. Bonds15

About 1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 158429681) has the molecular formula C50H62N6O6 and a molecular weight of 843.08 g/mol. Its IUPAC name is 1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID158429681
Molecular FormulaC50H62N6O6
Molecular Weight843.08 g/mol
Exact Mass842.47
IUPAC Name1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1cccc(O)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1cccc(OCC(C)C)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C27H35N3O3.C23H27N3O3/c1-19(2)18-33-26-6-4-5-25(32-3)23(26)12-15-29-13-10-22(11-14-29)30-16-9-20-7-8-21(27(28)31)17-24(20)30;1-29-22-4-2-3-21(27)19(22)10-13-25-11-8-18(9-12-25)26-14-7-16-5-6-17(23(24)28)15-20(16)26/h4-9,16-17,19,22H,10-15,18H2,1-3H3,(H2,28,31);2-7,14-15,18,27H,8-13H2,1H3,(H2,24,28)
InChIKeyHBMUCJAJBXJWOD-UHFFFAOYSA-N
XLogP8.00
TPSA150.44 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.08
LogP ≤ 58.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide with MolForge

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Related Compounds

1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727851
1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727875
1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727853
1-[1-[2-(2-methoxy-6-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727790
1-[1-[2-(5-methoxy-1-oxo-2,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 11683433
1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 58970097
1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 11626189
1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 90972803
1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727867
ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 143271947
1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727765
1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727869

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (CID 158429681) is 1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is COc1cccc(O)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1cccc(OCC(C)C)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.
What is the InChIKey of 1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is HBMUCJAJBXJWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3.C23H27N3O3/c1-19(2)18-33-26-6-4-5-25(32-3)23(26)12-15-29-13-10-22(11-14-29)30-16-9-20-7-8-21(27(28)31)17-24(20)30;1-29-22-4-2-3-21(27)19(22)10-13-25-11-8-18(9-12-25)26-14-7-16-5-6-17(23(24)28)15-20(16)26/h4-9,16-17,19,22H,10-15,18H2,1-3H3,(H2,28,31);2-7,14-15,18,27H,8-13H2,1H3,(H2,24,28).
What are the key properties of 1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 843.08 g/mol, XLogP of 8.00, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 158429681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).