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

C28H32N4O3 — CID 90467322

IUPAC9H-carbazol-2-yl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc3c(c2)[nH]c2ccccc23)CC1
InChIInChI=1S/C28H32N4O3/c1-34-27-11-5-4-10-26(27)32-18-16-31(17-19-32)15-7-6-14-29-28(33)35-21-12-13-23-22-8-2-3-9-24(22)30-25(23)20-21/h2-5,8-13,20,30H,6-7,14-19H2,1H3,(H,29,33)
InChIKeyVCYGJFJKSCACCN-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.02
Rot. Bonds8

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

9H-carbazol-2-yl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate (PubChem CID 90467322) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 9H-carbazol-2-yl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate.

Molecular Properties

Compound Name9H-carbazol-2-yl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate
PubChem CID90467322
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name9H-carbazol-2-yl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc3c(c2)[nH]c2ccccc23)CC1
InChIInChI=1S/C28H32N4O3/c1-34-27-11-5-4-10-26(27)32-18-16-31(17-19-32)15-7-6-14-29-28(33)35-21-12-13-23-22-8-2-3-9-24(22)30-25(23)20-21/h2-5,8-13,20,30H,6-7,14-19H2,1H3,(H,29,33)
InChIKeyVCYGJFJKSCACCN-UHFFFAOYSA-N
XLogP5.02
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.02
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 9H-carbazol-2-yl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate?
The IUPAC name of 9H-carbazol-2-yl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate (CID 90467322) is 9H-carbazol-2-yl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate.
What is the SMILES notation for 9H-carbazol-2-yl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate?
The canonical SMILES for 9H-carbazol-2-yl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate is COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc3c(c2)[nH]c2ccccc23)CC1.
What is the InChIKey of 9H-carbazol-2-yl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate?
The InChIKey is VCYGJFJKSCACCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-34-27-11-5-4-10-26(27)32-18-16-31(17-19-32)15-7-6-14-29-28(33)35-21-12-13-23-22-8-2-3-9-24(22)30-25(23)20-21/h2-5,8-13,20,30H,6-7,14-19H2,1H3,(H,29,33).
What are the key properties of 9H-carbazol-2-yl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate?
9H-carbazol-2-yl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate has a molecular weight of 472.59 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazol-2-yl N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]carbamate is sourced from PubChem (CID 90467322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).