9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide

C22H28N4O — CID 70138429

IUPAC9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide
SMILESC[C@@H]1CN(CCCn2c3ccccc3c3cccc(C(N)=O)c32)C[C@H](C)N1
InChIInChI=1S/C22H28N4O/c1-15-13-25(14-16(2)24-15)11-6-12-26-20-10-4-3-7-17(20)18-8-5-9-19(21(18)26)22(23)27/h3-5,7-10,15-16,24H,6,11-14H2,1-2H3,(H2,23,27)/t15-,16+
InChIKeySGNUXJJPJXKNHK-IYBDPMFKSA-N
MW364.49 g/mol
LogP2.97
Rot. Bonds5

About 9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide

9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide (PubChem CID 70138429) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide.

Molecular Properties

Compound Name9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide
PubChem CID70138429
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide
SMILESC[C@@H]1CN(CCCn2c3ccccc3c3cccc(C(N)=O)c32)C[C@H](C)N1
InChIInChI=1S/C22H28N4O/c1-15-13-25(14-16(2)24-15)11-6-12-26-20-10-4-3-7-17(20)18-8-5-9-19(21(18)26)22(23)27/h3-5,7-10,15-16,24H,6,11-14H2,1-2H3,(H2,23,27)/t15-,16+
InChIKeySGNUXJJPJXKNHK-IYBDPMFKSA-N
XLogP2.97
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide?
The IUPAC name of 9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide (CID 70138429) is 9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide.
What is the SMILES notation for 9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide?
The canonical SMILES for 9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide is C[C@@H]1CN(CCCn2c3ccccc3c3cccc(C(N)=O)c32)C[C@H](C)N1.
What is the InChIKey of 9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide?
The InChIKey is SGNUXJJPJXKNHK-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H28N4O/c1-15-13-25(14-16(2)24-15)11-6-12-26-20-10-4-3-7-17(20)18-8-5-9-19(21(18)26)22(23)27/h3-5,7-10,15-16,24H,6,11-14H2,1-2H3,(H2,23,27)/t15-,16+.
What are the key properties of 9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide?
9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole-1-carboxamide is sourced from PubChem (CID 70138429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).