N-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide

C28H32N4O — CID 70221480

IUPACN-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide
SMILESCCCC(NC(=O)c1ccc2c(c1)[nH]c1ccccc12)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C28H32N4O/c1-3-7-27(32-16-14-31(15-17-32)22-9-6-8-20(2)18-22)30-28(33)21-12-13-24-23-10-4-5-11-25(23)29-26(24)19-21/h4-6,8-13,18-19,27,29H,3,7,14-17H2,1-2H3,(H,30,33)
InChIKeyPMQYMNKYKNWONB-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.31
Rot. Bonds6

About N-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide

N-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide (PubChem CID 70221480) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide
PubChem CID70221480
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC NameN-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide
SMILESCCCC(NC(=O)c1ccc2c(c1)[nH]c1ccccc12)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C28H32N4O/c1-3-7-27(32-16-14-31(15-17-32)22-9-6-8-20(2)18-22)30-28(33)21-12-13-24-23-10-4-5-11-25(23)29-26(24)19-21/h4-6,8-13,18-19,27,29H,3,7,14-17H2,1-2H3,(H,30,33)
InChIKeyPMQYMNKYKNWONB-UHFFFAOYSA-N
XLogP5.31
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide?
The IUPAC name of N-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide (CID 70221480) is N-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide.
What is the SMILES notation for N-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide?
The canonical SMILES for N-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide is CCCC(NC(=O)c1ccc2c(c1)[nH]c1ccccc12)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide?
The InChIKey is PMQYMNKYKNWONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O/c1-3-7-27(32-16-14-31(15-17-32)22-9-6-8-20(2)18-22)30-28(33)21-12-13-24-23-10-4-5-11-25(23)29-26(24)19-21/h4-6,8-13,18-19,27,29H,3,7,14-17H2,1-2H3,(H,30,33).
What are the key properties of N-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide?
N-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-methylphenyl)piperazin-1-yl]butyl]-9H-carbazole-2-carboxamide is sourced from PubChem (CID 70221480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).