[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone

C23H27N3O2 — CID 56758093

IUPAC[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3c(C)c4cccc(C)c4n3C)CC2)nc1
InChIInChI=1S/C23H27N3O2/c1-15-8-9-19(24-14-15)23(28)10-12-26(13-11-23)22(27)21-17(3)18-7-5-6-16(2)20(18)25(21)4/h5-9,14,28H,10-13H2,1-4H3
InChIKeyXAONIXNEQMTBPF-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.62
Rot. Bonds2

About [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone (PubChem CID 56758093) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone
PubChem CID56758093
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3c(C)c4cccc(C)c4n3C)CC2)nc1
InChIInChI=1S/C23H27N3O2/c1-15-8-9-19(24-14-15)23(28)10-12-26(13-11-23)22(27)21-17(3)18-7-5-6-16(2)20(18)25(21)4/h5-9,14,28H,10-13H2,1-4H3
InChIKeyXAONIXNEQMTBPF-UHFFFAOYSA-N
XLogP3.62
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 118787840
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 56740554
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone
CID 56747203
2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
(3-amino-1H-pyrazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56741023
(4-amino-2-pyridinyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56752037
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 56742882
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
CID 157014393
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 56754610
1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 56748421
(2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 118784308
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 121498872

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone?
The IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone (CID 56758093) is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone?
The canonical SMILES for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone is Cc1ccc(C2(O)CCN(C(=O)c3c(C)c4cccc(C)c4n3C)CC2)nc1.
What is the InChIKey of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone?
The InChIKey is XAONIXNEQMTBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-8-9-19(24-14-15)23(28)10-12-26(13-11-23)22(27)21-17(3)18-7-5-6-16(2)20(18)25(21)4/h5-9,14,28H,10-13H2,1-4H3.
What are the key properties of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone?
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone has a molecular weight of 377.49 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone is sourced from PubChem (CID 56758093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).