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

C26H26Cl2N4O2 — CID 90466864

IUPAC9H-carbazol-2-yl N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate
SMILESO=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C26H26Cl2N4O2/c27-21-6-3-8-24(25(21)28)32-15-13-31(14-16-32)12-4-11-29-26(33)34-18-9-10-20-19-5-1-2-7-22(19)30-23(20)17-18/h1-3,5-10,17,30H,4,11-16H2,(H,29,33)
InChIKeyUOPBRNUATAQDND-UHFFFAOYSA-N
MW497.43 g/mol
LogP5.93
Rot. Bonds6

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

9H-carbazol-2-yl N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate (PubChem CID 90466864) has the molecular formula C26H26Cl2N4O2 and a molecular weight of 497.43 g/mol. Its IUPAC name is 9H-carbazol-2-yl N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate.

Molecular Properties

Compound Name9H-carbazol-2-yl N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate
PubChem CID90466864
Molecular FormulaC26H26Cl2N4O2
Molecular Weight497.43 g/mol
Exact Mass496.14
IUPAC Name9H-carbazol-2-yl N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate
SMILESO=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C26H26Cl2N4O2/c27-21-6-3-8-24(25(21)28)32-15-13-31(14-16-32)12-4-11-29-26(33)34-18-9-10-20-19-5-1-2-7-22(19)30-23(20)17-18/h1-3,5-10,17,30H,4,11-16H2,(H,29,33)
InChIKeyUOPBRNUATAQDND-UHFFFAOYSA-N
XLogP5.93
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.43
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 9H-carbazol-2-yl N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate?
The IUPAC name of 9H-carbazol-2-yl N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate (CID 90466864) is 9H-carbazol-2-yl N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate.
What is the SMILES notation for 9H-carbazol-2-yl N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate?
The canonical SMILES for 9H-carbazol-2-yl N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate is O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazol-2-yl N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate?
The InChIKey is UOPBRNUATAQDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O2/c27-21-6-3-8-24(25(21)28)32-15-13-31(14-16-32)12-4-11-29-26(33)34-18-9-10-20-19-5-1-2-7-22(19)30-23(20)17-18/h1-3,5-10,17,30H,4,11-16H2,(H,29,33).
What are the key properties of 9H-carbazol-2-yl N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate?
9H-carbazol-2-yl N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate has a molecular weight of 497.43 g/mol, XLogP of 5.93, 6 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-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]carbamate is sourced from PubChem (CID 90466864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).