N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C25H30N4O — CID 42239539

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc2)CC1
InChIInChI=1S/C25H30N4O/c1-2-28-13-15-29(16-14-28)20-10-8-19(9-11-20)26-25(30)18-7-12-24-22(17-18)21-5-3-4-6-23(21)27-24/h7-12,17,27H,2-6,13-16H2,1H3,(H,26,30)
InChIKeyYPNBRLVEHTUEGR-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.44
Rot. Bonds4

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 42239539) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID42239539
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc2)CC1
InChIInChI=1S/C25H30N4O/c1-2-28-13-15-29(16-14-28)20-10-8-19(9-11-20)26-25(30)18-7-12-24-22(17-18)21-5-3-4-6-23(21)27-24/h7-12,17,27H,2-6,13-16H2,1H3,(H,26,30)
InChIKeyYPNBRLVEHTUEGR-UHFFFAOYSA-N
XLogP4.44
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 37043367
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46560236
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 42239391
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1090054
N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46809541
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 17403633
N-(1-propan-2-ylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71933883
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232133
3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 7340704
2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109168800
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 42239539) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CCN1CCN(c2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is YPNBRLVEHTUEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-2-28-13-15-29(16-14-28)20-10-8-19(9-11-20)26-25(30)18-7-12-24-22(17-18)21-5-3-4-6-23(21)27-24/h7-12,17,27H,2-6,13-16H2,1H3,(H,26,30).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 42239539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).