N-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide

C26H27N5O — CID 59626510

IUPACN-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide
SMILESN/C(=N\Cc1ccccc1)NC(=O)c1ccc2c3ccccc3n(C3CCNCC3)c2c1
InChIInChI=1S/C26H27N5O/c27-26(29-17-18-6-2-1-3-7-18)30-25(32)19-10-11-22-21-8-4-5-9-23(21)31(24(22)16-19)20-12-14-28-15-13-20/h1-11,16,20,28H,12-15,17H2,(H3,27,29,30,32)
InChIKeyYNOUSVMWLRECMH-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.96
Rot. Bonds4

About N-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide

N-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide (PubChem CID 59626510) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide.

Molecular Properties

Compound NameN-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide
PubChem CID59626510
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide
SMILESN/C(=N\Cc1ccccc1)NC(=O)c1ccc2c3ccccc3n(C3CCNCC3)c2c1
InChIInChI=1S/C26H27N5O/c27-26(29-17-18-6-2-1-3-7-18)30-25(32)19-10-11-22-21-8-4-5-9-23(21)31(24(22)16-19)20-12-14-28-15-13-20/h1-11,16,20,28H,12-15,17H2,(H3,27,29,30,32)
InChIKeyYNOUSVMWLRECMH-UHFFFAOYSA-N
XLogP3.96
TPSA84.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.96
H-Bond Donors ≤ 53
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-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide?
The IUPAC name of N-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide (CID 59626510) is N-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide.
What is the SMILES notation for N-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide?
The canonical SMILES for N-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide is N/C(=N\Cc1ccccc1)NC(=O)c1ccc2c3ccccc3n(C3CCNCC3)c2c1.
What is the InChIKey of N-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide?
The InChIKey is YNOUSVMWLRECMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c27-26(29-17-18-6-2-1-3-7-18)30-25(32)19-10-11-22-21-8-4-5-9-23(21)31(24(22)16-19)20-12-14-28-15-13-20/h1-11,16,20,28H,12-15,17H2,(H3,27,29,30,32).
What are the key properties of N-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide?
N-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-benzylcarbamimidoyl)-9-piperidin-4-ylcarbazole-2-carboxamide is sourced from PubChem (CID 59626510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).