N,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide

C24H31N3O — CID 59933143

IUPACN,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide
SMILESCN(CCCCN1CCCCC1)C(=O)c1ccc2c3ccccc3n(C)c2c1
InChIInChI=1S/C24H31N3O/c1-25(14-8-9-17-27-15-6-3-7-16-27)24(28)19-12-13-21-20-10-4-5-11-22(20)26(2)23(21)18-19/h4-5,10-13,18H,3,6-9,14-17H2,1-2H3
InChIKeyADJHJOBXVQYHIX-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.67
Rot. Bonds6

About N,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide

N,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide (PubChem CID 59933143) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide.

Molecular Properties

Compound NameN,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide
PubChem CID59933143
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide
SMILESCN(CCCCN1CCCCC1)C(=O)c1ccc2c3ccccc3n(C)c2c1
InChIInChI=1S/C24H31N3O/c1-25(14-8-9-17-27-15-6-3-7-16-27)24(28)19-12-13-21-20-10-4-5-11-22(20)26(2)23(21)18-19/h4-5,10-13,18H,3,6-9,14-17H2,1-2H3
InChIKeyADJHJOBXVQYHIX-UHFFFAOYSA-N
XLogP4.67
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide?
The IUPAC name of N,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide (CID 59933143) is N,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide.
What is the SMILES notation for N,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide?
The canonical SMILES for N,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide is CN(CCCCN1CCCCC1)C(=O)c1ccc2c3ccccc3n(C)c2c1.
What is the InChIKey of N,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide?
The InChIKey is ADJHJOBXVQYHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-25(14-8-9-17-27-15-6-3-7-16-27)24(28)19-12-13-21-20-10-4-5-11-22(20)26(2)23(21)18-19/h4-5,10-13,18H,3,6-9,14-17H2,1-2H3.
What are the key properties of N,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide?
N,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide is sourced from PubChem (CID 59933143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).