3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide

C26H24FN3O4 — CID 66604954

IUPAC3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCC(O)CC5)cc4c3c2)cc1F
InChIInChI=1S/C26H24FN3O4/c1-34-23-5-3-14(13-21(23)27)16-11-19-18-10-15(26(33)30-8-6-17(31)7-9-30)2-4-22(18)29-24(19)20(12-16)25(28)32/h2-5,10-13,17,29,31H,6-9H2,1H3,(H2,28,32)
InChIKeyTZGGBKZUYBPTHX-UHFFFAOYSA-N
MW461.49 g/mol
LogP3.83
Rot. Bonds4

About 3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide

3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 66604954) has the molecular formula C26H24FN3O4 and a molecular weight of 461.49 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID66604954
Molecular FormulaC26H24FN3O4
Molecular Weight461.49 g/mol
Exact Mass461.18
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCC(O)CC5)cc4c3c2)cc1F
InChIInChI=1S/C26H24FN3O4/c1-34-23-5-3-14(13-21(23)27)16-11-19-18-10-15(26(33)30-8-6-17(31)7-9-30)2-4-22(18)29-24(19)20(12-16)25(28)32/h2-5,10-13,17,29,31H,6-9H2,1H3,(H2,28,32)
InChIKeyTZGGBKZUYBPTHX-UHFFFAOYSA-N
XLogP3.83
TPSA108.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carbonyl]-9H-carbazole-1-carboxamide
CID 66604817
3-(3-fluoro-4-methoxyphenyl)-7-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
CID 66599529
6-N-(benzenesulfonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1,6-dicarboxamide
CID 66604859
7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604281
3-(2-methoxyphenyl)-7-[4-(2-methylpropyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide
CID 174744783
3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide
CID 66605845
tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate
CID 174644318
3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605846
7-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-(3-fluoro-4-methoxyphenyl)-9H-fluorene-1-carboxamide
CID 146851107
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569
3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
CID 66604875
CID 90383768
CID 90383768

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 66604954) is 3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide is COc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCC(O)CC5)cc4c3c2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is TZGGBKZUYBPTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4/c1-34-23-5-3-14(13-21(23)27)16-11-19-18-10-15(26(33)30-8-6-17(31)7-9-30)2-4-22(18)29-24(19)20(12-16)25(28)32/h2-5,10-13,17,29,31H,6-9H2,1H3,(H2,28,32).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide?
3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 3.83, 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)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66604954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).