[1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone

C24H24FN3O2 — CID 42886803

IUPAC[1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CCc3[nH]c4ccccc4c3C2)C1
InChIInChI=1S/C24H24FN3O2/c25-18-9-7-16(8-10-18)23(29)27-12-3-4-17(14-27)24(30)28-13-11-22-20(15-28)19-5-1-2-6-21(19)26-22/h1-2,5-10,17,26H,3-4,11-15H2
InChIKeyUXEXLPPRWYHFOJ-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.74
Rot. Bonds2

About [1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone

[1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (PubChem CID 42886803) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is [1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
PubChem CID42886803
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name[1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CCc3[nH]c4ccccc4c3C2)C1
InChIInChI=1S/C24H24FN3O2/c25-18-9-7-16(8-10-18)23(29)27-12-3-4-17(14-27)24(30)28-13-11-22-20(15-28)19-5-1-2-6-21(19)26-22/h1-2,5-10,17,26H,3-4,11-15H2
InChIKeyUXEXLPPRWYHFOJ-UHFFFAOYSA-N
XLogP3.74
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one
CID 26318760
1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl-(2,4,6-trifluorophenyl)methanone
CID 141122655
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195
1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl-(3,4,5-trifluorophenyl)methanone
CID 141122656
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
[4-(1-hydroxyethyl)phenyl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 172895192
(4-benzylpiperazin-1-yl)-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 25297530
[(2S)-1-methylsulfonylpiperidin-2-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 51649026

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The IUPAC name of [1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (CID 42886803) is [1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone.
What is the SMILES notation for [1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The canonical SMILES for [1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone is O=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CCc3[nH]c4ccccc4c3C2)C1.
What is the InChIKey of [1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The InChIKey is UXEXLPPRWYHFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-18-9-7-16(8-10-18)23(29)27-12-3-4-17(14-27)24(30)28-13-11-22-20(15-28)19-5-1-2-6-21(19)26-22/h1-2,5-10,17,26H,3-4,11-15H2.
What are the key properties of [1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
[1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone has a molecular weight of 405.47 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone is sourced from PubChem (CID 42886803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).