[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone

C26H25FN4O2 — CID 135505818

IUPAC[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone
SMILESO=C(c1ccc2[nH]c3c(c2c1)CCCc1cn[nH]c1-3)N1CCC(O)(c2ccccc2F)CC1
InChIInChI=1S/C26H25FN4O2/c27-21-7-2-1-6-20(21)26(33)10-12-31(13-11-26)25(32)16-8-9-22-19(14-16)18-5-3-4-17-15-28-30-23(17)24(18)29-22/h1-2,6-9,14-15,29,33H,3-5,10-13H2,(H,28,30)
InChIKeyRVBJBOOPEOUTED-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.31
Rot. Bonds2

About [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone

[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone (PubChem CID 135505818) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone
PubChem CID135505818
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone
SMILESO=C(c1ccc2[nH]c3c(c2c1)CCCc1cn[nH]c1-3)N1CCC(O)(c2ccccc2F)CC1
InChIInChI=1S/C26H25FN4O2/c27-21-7-2-1-6-20(21)26(33)10-12-31(13-11-26)25(32)16-8-9-22-19(14-16)18-5-3-4-17-15-28-30-23(17)24(18)29-22/h1-2,6-9,14-15,29,33H,3-5,10-13H2,(H,28,30)
InChIKeyRVBJBOOPEOUTED-UHFFFAOYSA-N
XLogP4.31
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
CID 135526980
[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 51036130
N-(2-anilinoethyl)-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
CID 135465614
N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
CID 135516734
7,7-bis(2-hydroxyethyl)-5-propan-2-yl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one
CID 135961297
[4-(2,3-difluorophenyl)-4-hydroxypiperidin-1-yl]-[4-[(5-fluoroquinolin-8-yl)sulfanylamino]-3-methylphenyl]methanone
CID 146582506
[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 16672954
(4-fluoro-3-methylphenyl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 154839329
ethanol;13,13,15-triethyl-9,15-diazatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraene-7,14-dione;5,7,7-triethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one
CID 157359435
5-(3-hydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one
CID 135961271
N-tert-butyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-8-carboxamide
CID 135432895
7,7-dimethyl-5-pyrazin-2-yl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one
CID 135961289

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone (CID 135505818) is [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone is O=C(c1ccc2[nH]c3c(c2c1)CCCc1cn[nH]c1-3)N1CCC(O)(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone?
The InChIKey is RVBJBOOPEOUTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c27-21-7-2-1-6-20(21)26(33)10-12-31(13-11-26)25(32)16-8-9-22-19(14-16)18-5-3-4-17-15-28-30-23(17)24(18)29-22/h1-2,6-9,14-15,29,33H,3-5,10-13H2,(H,28,30).
What are the key properties of [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone?
[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone has a molecular weight of 444.51 g/mol, XLogP of 4.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-(3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaen-13-yl)methanone is sourced from PubChem (CID 135505818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).