3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one

C27H29N3O2 — CID 154833822

IUPAC3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESCC1CCc2[nH]c3ccc(C(=O)N4CCC(C5C(=O)Nc6ccccc65)CC4)cc3c2C1
InChIInChI=1S/C27H29N3O2/c1-16-6-8-23-20(14-16)21-15-18(7-9-24(21)28-23)27(32)30-12-10-17(11-13-30)25-19-4-2-3-5-22(19)29-26(25)31/h2-5,7,9,15-17,25,28H,6,8,10-14H2,1H3,(H,29,31)
InChIKeyANYPCEGVLYDUNA-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.88
Rot. Bonds2

About 3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one

3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one (PubChem CID 154833822) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
PubChem CID154833822
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
SMILESCC1CCc2[nH]c3ccc(C(=O)N4CCC(C5C(=O)Nc6ccccc65)CC4)cc3c2C1
InChIInChI=1S/C27H29N3O2/c1-16-6-8-23-20(14-16)21-15-18(7-9-24(21)28-23)27(32)30-12-10-17(11-13-30)25-19-4-2-3-5-22(19)29-26(25)31/h2-5,7,9,15-17,25,28H,6,8,10-14H2,1H3,(H,29,31)
InChIKeyANYPCEGVLYDUNA-UHFFFAOYSA-N
XLogP4.88
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]piperidine-4-carboxamide
CID 41099535
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone
CID 51723997
(3S)-3-[1-(2-methylpropanoyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 95968551
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
CID 154836446
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154806869
[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 26661709
N-[3-[4-(2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carbonyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 154833831
N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 17433866
(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 92516183
methyl 3-[[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoate
CID 30805049
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 110710761

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one (CID 154833822) is 3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one is CC1CCc2[nH]c3ccc(C(=O)N4CCC(C5C(=O)Nc6ccccc65)CC4)cc3c2C1.
What is the InChIKey of 3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is ANYPCEGVLYDUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-16-6-8-23-20(14-16)21-15-18(7-9-24(21)28-23)27(32)30-12-10-17(11-13-30)25-19-4-2-3-5-22(19)29-26(25)31/h2-5,7,9,15-17,25,28H,6,8,10-14H2,1H3,(H,29,31).
What are the key properties of 3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one?
3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 427.55 g/mol, XLogP of 4.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 154833822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).