9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate

C27H28Cl2N4O2 — CID 90467172

About 9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate

9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate (PubChem CID 90467172) has the molecular formula C27H28Cl2N4O2 and a molecular weight of 511.45 g/mol. Its IUPAC name is 9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate.

Molecular Properties

• Compound Name: 9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate
• PubChem CID: 90467172
• Molecular Formula: C27H28Cl2N4O2
• Molecular Weight: 511.45 g/mol
• Exact Mass: 510.16
• IUPAC Name: 9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate
• SMILES: O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1ccc2c(c1)[nH]c1ccccc12
• InChI: InChI=1S/C27H28Cl2N4O2/c28-22-7-5-9-25(26(22)29)33-16-14-32(15-17-33)13-4-3-12-30-27(34)35-19-10-11-21-20-6-1-2-8-23(20)31-24(21)18-19/h1-2,5-11,18,31H,3-4,12-17H2,(H,30,34)
• InChIKey: QKDZZWJEUUEDPE-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 60.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.45
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate?

The IUPAC name of 9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate (CID 90467172) is 9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate.

What is the SMILES notation for 9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate?

The canonical SMILES for 9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate is O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1ccc2c(c1)[nH]c1ccccc12.

What is the InChIKey of 9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate?

The InChIKey is QKDZZWJEUUEDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N4O2/c28-22-7-5-9-25(26(22)29)33-16-14-32(15-17-33)13-4-3-12-30-27(34)35-19-10-11-21-20-6-1-2-8-23(20)31-24(21)18-19/h1-2,5-11,18,31H,3-4,12-17H2,(H,30,34).

What are the key properties of 9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate?

9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate has a molecular weight of 511.45 g/mol, XLogP of 6.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-carbazol-2-yl N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate is sourced from PubChem (CID 90467172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).