3-(3-methoxyphenyl)-7-[4-(3-methoxypropyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide

C29H32N4O4 — CID 66604876

IUPAC3-(3-methoxyphenyl)-7-[4-(3-methoxypropyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide
SMILESCOCCCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cccc(OC)c4)cc23)CC1
InChIInChI=1S/C29H32N4O4/c1-36-14-4-9-32-10-12-33(13-11-32)29(35)20-7-8-23-24-16-21(19-5-3-6-22(15-19)37-2)17-25(28(30)34)27(24)31-26(23)18-20/h3,5-8,15-18,31H,4,9-14H2,1-2H3,(H2,30,34)
InChIKeyWPRFHYRCJKVGBS-UHFFFAOYSA-N
MW500.60 g/mol
LogP3.89
Rot. Bonds8

About 3-(3-methoxyphenyl)-7-[4-(3-methoxypropyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide

3-(3-methoxyphenyl)-7-[4-(3-methoxypropyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide (PubChem CID 66604876) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-7-[4-(3-methoxypropyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-7-[4-(3-methoxypropyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide
PubChem CID66604876
Molecular FormulaC29H32N4O4
Molecular Weight500.60 g/mol
Exact Mass500.24
IUPAC Name3-(3-methoxyphenyl)-7-[4-(3-methoxypropyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide
SMILESCOCCCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cccc(OC)c4)cc23)CC1
InChIInChI=1S/C29H32N4O4/c1-36-14-4-9-32-10-12-33(13-11-32)29(35)20-7-8-23-24-16-21(19-5-3-6-22(15-19)37-2)17-25(28(30)34)27(24)31-26(23)18-20/h3,5-8,15-18,31H,4,9-14H2,1-2H3,(H2,30,34)
InChIKeyWPRFHYRCJKVGBS-UHFFFAOYSA-N
XLogP3.89
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-7-[4-(3-methoxypropyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-7-[4-(3-methoxypropyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide (CID 66604876) is 3-(3-methoxyphenyl)-7-[4-(3-methoxypropyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-7-[4-(3-methoxypropyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-7-[4-(3-methoxypropyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide is COCCCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cccc(OC)c4)cc23)CC1.
What is the InChIKey of 3-(3-methoxyphenyl)-7-[4-(3-methoxypropyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide?
The InChIKey is WPRFHYRCJKVGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-36-14-4-9-32-10-12-33(13-11-32)29(35)20-7-8-23-24-16-21(19-5-3-6-22(15-19)37-2)17-25(28(30)34)27(24)31-26(23)18-20/h3,5-8,15-18,31H,4,9-14H2,1-2H3,(H2,30,34).
What are the key properties of 3-(3-methoxyphenyl)-7-[4-(3-methoxypropyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide?
3-(3-methoxyphenyl)-7-[4-(3-methoxypropyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide has a molecular weight of 500.60 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-7-[4-(3-methoxypropyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66604876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).