[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone

C21H28N2O — CID 51723997

IUPAC[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone
SMILESC[C@H]1CCc2[nH]c3ccc(C(=O)N4C[C@@H](C)C[C@H](C)C4)cc3c2C1
InChIInChI=1S/C21H28N2O/c1-13-4-6-19-17(9-13)18-10-16(5-7-20(18)22-19)21(24)23-11-14(2)8-15(3)12-23/h5,7,10,13-15,22H,4,6,8-9,11-12H2,1-3H3/t13-,14-,15-/m0/s1
InChIKeyIVKFSFTWALNPEC-KKUMJFAQSA-N
MW324.47 g/mol
LogP4.41
Rot. Bonds1

About [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone

[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone (PubChem CID 51723997) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone.

Molecular Properties

Compound Name[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone
PubChem CID51723997
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone
SMILESC[C@H]1CCc2[nH]c3ccc(C(=O)N4C[C@@H](C)C[C@H](C)C4)cc3c2C1
InChIInChI=1S/C21H28N2O/c1-13-4-6-19-17(9-13)18-10-16(5-7-20(18)22-19)21(24)23-11-14(2)8-15(3)12-23/h5,7,10,13-15,22H,4,6,8-9,11-12H2,1-3H3/t13-,14-,15-/m0/s1
InChIKeyIVKFSFTWALNPEC-KKUMJFAQSA-N
XLogP4.41
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
3-[1-(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154833822
[(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 26661709
N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 17433866
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
N,N-bis(2-hydroxyethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110878264
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone
CID 154836446
(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41090432
(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 92516183
N-[(1,1-dioxothietan-3-yl)methyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 154765988
tert-butyl 8-(3-methylpiperidine-1-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 59315897

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone?
The IUPAC name of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone (CID 51723997) is [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone.
What is the SMILES notation for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone?
The canonical SMILES for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone is C[C@H]1CCc2[nH]c3ccc(C(=O)N4C[C@@H](C)C[C@H](C)C4)cc3c2C1.
What is the InChIKey of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone?
The InChIKey is IVKFSFTWALNPEC-KKUMJFAQSA-N. The full InChI is InChI=1S/C21H28N2O/c1-13-4-6-19-17(9-13)18-10-16(5-7-20(18)22-19)21(24)23-11-14(2)8-15(3)12-23/h5,7,10,13-15,22H,4,6,8-9,11-12H2,1-3H3/t13-,14-,15-/m0/s1.
What are the key properties of [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone?
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone has a molecular weight of 324.47 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone is sourced from PubChem (CID 51723997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).