3-(3-fluoro-4-methoxyphenyl)-7-(3-hydroxy-3-methylpiperidine-1-carbonyl)-9H-carbazole-1-carboxamide

C27H26FN3O4 — CID 66599502

IUPAC3-(3-fluoro-4-methoxyphenyl)-7-(3-hydroxy-3-methylpiperidine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCCC(C)(O)C5)ccc4c3c2)cc1F
InChIInChI=1S/C27H26FN3O4/c1-27(34)8-3-9-31(14-27)26(33)16-4-6-18-19-10-17(15-5-7-23(35-2)21(28)12-15)11-20(25(29)32)24(19)30-22(18)13-16/h4-7,10-13,30,34H,3,8-9,14H2,1-2H3,(H2,29,32)
InChIKeyXKSGHADHPOVACR-UHFFFAOYSA-N
MW475.52 g/mol
LogP4.22
Rot. Bonds4

About 3-(3-fluoro-4-methoxyphenyl)-7-(3-hydroxy-3-methylpiperidine-1-carbonyl)-9H-carbazole-1-carboxamide

3-(3-fluoro-4-methoxyphenyl)-7-(3-hydroxy-3-methylpiperidine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 66599502) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-7-(3-hydroxy-3-methylpiperidine-1-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-7-(3-hydroxy-3-methylpiperidine-1-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID66599502
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-7-(3-hydroxy-3-methylpiperidine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCCC(C)(O)C5)ccc4c3c2)cc1F
InChIInChI=1S/C27H26FN3O4/c1-27(34)8-3-9-31(14-27)26(33)16-4-6-18-19-10-17(15-5-7-23(35-2)21(28)12-15)11-20(25(29)32)24(19)30-22(18)13-16/h4-7,10-13,30,34H,3,8-9,14H2,1-2H3,(H2,29,32)
InChIKeyXKSGHADHPOVACR-UHFFFAOYSA-N
XLogP4.22
TPSA108.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-7-(3-hydroxy-3-methylpiperidine-1-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-7-(3-hydroxy-3-methylpiperidine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 66599502) is 3-(3-fluoro-4-methoxyphenyl)-7-(3-hydroxy-3-methylpiperidine-1-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-7-(3-hydroxy-3-methylpiperidine-1-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-7-(3-hydroxy-3-methylpiperidine-1-carbonyl)-9H-carbazole-1-carboxamide is COc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCCC(C)(O)C5)ccc4c3c2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-7-(3-hydroxy-3-methylpiperidine-1-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is XKSGHADHPOVACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4/c1-27(34)8-3-9-31(14-27)26(33)16-4-6-18-19-10-17(15-5-7-23(35-2)21(28)12-15)11-20(25(29)32)24(19)30-22(18)13-16/h4-7,10-13,30,34H,3,8-9,14H2,1-2H3,(H2,29,32).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-7-(3-hydroxy-3-methylpiperidine-1-carbonyl)-9H-carbazole-1-carboxamide?
3-(3-fluoro-4-methoxyphenyl)-7-(3-hydroxy-3-methylpiperidine-1-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 4.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-7-(3-hydroxy-3-methylpiperidine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66599502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).