3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate

C24H26FN3O3 — CID 54082392

IUPAC3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate
SMILESO=C(Nc1ccc2[nH]ccc2c1)OCCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H26FN3O3/c25-20-4-2-17(3-5-20)23(29)18-9-13-28(14-10-18)12-1-15-31-24(30)27-21-6-7-22-19(16-21)8-11-26-22/h2-8,11,16,18,26H,1,9-10,12-15H2,(H,27,30)
InChIKeyMOAFOMZYQVVYFN-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.84
Rot. Bonds7

About 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate

3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate (PubChem CID 54082392) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate.

Molecular Properties

Compound Name3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate
PubChem CID54082392
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate
SMILESO=C(Nc1ccc2[nH]ccc2c1)OCCCN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H26FN3O3/c25-20-4-2-17(3-5-20)23(29)18-9-13-28(14-10-18)12-1-15-31-24(30)27-21-6-7-22-19(16-21)8-11-26-22/h2-8,11,16,18,26H,1,9-10,12-15H2,(H,27,30)
InChIKeyMOAFOMZYQVVYFN-UHFFFAOYSA-N
XLogP4.84
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-bromobenzoyl)piperidin-1-yl]ethyl N-(1H-indol-5-yl)carbamate
CID 54032136
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-quinolin-6-ylcarbamate
CID 54121890
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(1,2-benzothiazol-5-yl)carbamate
CID 54554945
[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-(2,3-dihydro-1H-indol-7-yl)carbamate
CID 54110968
3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1-benzofuran-4-yl)carbamate
CID 54487038
3-[4-(4-chlorobenzoyl)piperidin-1-yl]propyl N-(1,3-benzoxazol-6-yl)carbamate
CID 54454136
3-[4-(4-bromobenzoyl)piperidin-1-yl]propyl N-(1,3-benzoxazol-5-yl)carbamate
CID 54513018
2-[4-(4-iodobenzoyl)piperidin-1-yl]ethyl N-(1,2-benzothiazol-5-yl)carbamate
CID 54324228
2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl N-(1,2-benzoxazol-7-yl)carbamate
CID 54509594

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate?
The IUPAC name of 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate (CID 54082392) is 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate.
What is the SMILES notation for 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate?
The canonical SMILES for 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate is O=C(Nc1ccc2[nH]ccc2c1)OCCCN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate?
The InChIKey is MOAFOMZYQVVYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c25-20-4-2-17(3-5-20)23(29)18-9-13-28(14-10-18)12-1-15-31-24(30)27-21-6-7-22-19(16-21)8-11-26-22/h2-8,11,16,18,26H,1,9-10,12-15H2,(H,27,30).
What are the key properties of 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate?
3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate has a molecular weight of 423.49 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl N-(1H-indol-5-yl)carbamate is sourced from PubChem (CID 54082392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).