N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide

C23H27N5O2 — CID 68779907

IUPACN-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide
SMILESN/C(=N\C(=O)c1ccc2c3ccccc3n(C3CCOCC3)c2c1)N1CCNCC1
InChIInChI=1S/C23H27N5O2/c24-23(27-11-9-25-10-12-27)26-22(29)16-5-6-19-18-3-1-2-4-20(18)28(21(19)15-16)17-7-13-30-14-8-17/h1-6,15,17,25H,7-14H2,(H2,24,26,29)
InChIKeyCSIVVMMZQQEARL-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.51
Rot. Bonds2

About N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide

N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide (PubChem CID 68779907) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide.

Molecular Properties

Compound NameN-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide
PubChem CID68779907
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide
SMILESN/C(=N\C(=O)c1ccc2c3ccccc3n(C3CCOCC3)c2c1)N1CCNCC1
InChIInChI=1S/C23H27N5O2/c24-23(27-11-9-25-10-12-27)26-22(29)16-5-6-19-18-3-1-2-4-20(18)28(21(19)15-16)17-7-13-30-14-8-17/h1-6,15,17,25H,7-14H2,(H2,24,26,29)
InChIKeyCSIVVMMZQQEARL-UHFFFAOYSA-N
XLogP2.51
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide?
The IUPAC name of N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide (CID 68779907) is N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide.
What is the SMILES notation for N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide?
The canonical SMILES for N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide is N/C(=N\C(=O)c1ccc2c3ccccc3n(C3CCOCC3)c2c1)N1CCNCC1.
What is the InChIKey of N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide?
The InChIKey is CSIVVMMZQQEARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c24-23(27-11-9-25-10-12-27)26-22(29)16-5-6-19-18-3-1-2-4-20(18)28(21(19)15-16)17-7-13-30-14-8-17/h1-6,15,17,25H,7-14H2,(H2,24,26,29).
What are the key properties of N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide?
N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(piperazin-1-yl)methylidene]-9-(oxan-4-yl)carbazole-2-carboxamide is sourced from PubChem (CID 68779907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).