3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate

C24H25FN2O4 — CID 54487038

IUPAC3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate
SMILESO=C(Nc1cccc2occc12)OCCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H25FN2O4/c25-19-7-5-17(6-8-19)23(28)18-9-13-27(14-10-18)12-2-15-31-24(29)26-21-3-1-4-22-20(21)11-16-30-22/h1,3-8,11,16,18H,2,9-10,12-15H2,(H,26,29)
InChIKeyXTAVSVOPUIYQFN-UHFFFAOYSA-N
MW424.47 g/mol
LogP5.11
Rot. Bonds7

About 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate

3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate (PubChem CID 54487038) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate.

Molecular Properties

Compound Name3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate
PubChem CID54487038
Molecular FormulaC24H25FN2O4
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate
SMILESO=C(Nc1cccc2occc12)OCCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H25FN2O4/c25-19-7-5-17(6-8-19)23(28)18-9-13-27(14-10-18)12-2-15-31-24(29)26-21-3-1-4-22-20(21)11-16-30-22/h1,3-8,11,16,18H,2,9-10,12-15H2,(H,26,29)
InChIKeyXTAVSVOPUIYQFN-UHFFFAOYSA-N
XLogP5.11
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-bromobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate
CID 67841945
2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1-benzofuran-4-yl)carbamate
CID 54194189
3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(2,3-dihydro-1H-indol-7-yl)carbamate
CID 54110968
3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1,3-benzoxazol-6-yl)carbamate
CID 54027243
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(2,3-dihydro-1H-indol-4-yl)carbamate
CID 54312444
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(1,2-benzoxazol-7-yl)carbamate
CID 54509594
3-[4-(4-chlorobenzoyl)piperidin-1-yl]propyl N-quinolin-5-ylcarbamate
CID 67841973
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
3-[4-(4-iodobenzoyl)piperidin-1-yl]propyl N-(1H-indol-7-yl)carbamate
CID 54158887
3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate
CID 54082392
[1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 15290380
(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate?
The IUPAC name of 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate (CID 54487038) is 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate.
What is the SMILES notation for 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate?
The canonical SMILES for 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate is O=C(Nc1cccc2occc12)OCCCN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate?
The InChIKey is XTAVSVOPUIYQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4/c25-19-7-5-17(6-8-19)23(28)18-9-13-27(14-10-18)12-2-15-31-24(29)26-21-3-1-4-22-20(21)11-16-30-22/h1,3-8,11,16,18H,2,9-10,12-15H2,(H,26,29).
What are the key properties of 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate?
3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate has a molecular weight of 424.47 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate is sourced from PubChem (CID 54487038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).