6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C26H32N4O — CID 56523381

IUPAC6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC1CCc2[nH]c3c(C(=O)NCc4ccccc4N4CCN(C)CC4)cccc3c2C1
InChIInChI=1S/C26H32N4O/c1-18-10-11-23-22(16-18)20-7-5-8-21(25(20)28-23)26(31)27-17-19-6-3-4-9-24(19)30-14-12-29(2)13-15-30/h3-9,18,28H,10-17H2,1-2H3,(H,27,31)
InChIKeyUVYGVUWMMZLGJE-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.97
Rot. Bonds4

About 6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 56523381) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID56523381
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC1CCc2[nH]c3c(C(=O)NCc4ccccc4N4CCN(C)CC4)cccc3c2C1
InChIInChI=1S/C26H32N4O/c1-18-10-11-23-22(16-18)20-7-5-8-21(25(20)28-23)26(31)27-17-19-6-3-4-9-24(19)30-14-12-29(2)13-15-30/h3-9,18,28H,10-17H2,1-2H3,(H,27,31)
InChIKeyUVYGVUWMMZLGJE-UHFFFAOYSA-N
XLogP3.97
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56523379
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 84613636
(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97023855
(6R)-6-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 52535773
N-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46430192
(6R)-N-[2-(methanesulfonamido)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 38012087
ethyl 3-[[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl]amino]propanoate
CID 95253356
(6S)-N-(3-imidazol-1-ylpropyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 94185005
6-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55720593
N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56548048
(6R)-6-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 95139505
(6R)-N-[(2S)-5-hydroxypentan-2-yl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97321534

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of 6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 56523381) is 6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for 6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for 6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CC1CCc2[nH]c3c(C(=O)NCc4ccccc4N4CCN(C)CC4)cccc3c2C1.
What is the InChIKey of 6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is UVYGVUWMMZLGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-18-10-11-23-22(16-18)20-7-5-8-21(25(20)28-23)26(31)27-17-19-6-3-4-9-24(19)30-14-12-29(2)13-15-30/h3-9,18,28H,10-17H2,1-2H3,(H,27,31).
What are the key properties of 6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 56523381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).