N-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

C29H36FN3O3 — CID 514964

IUPACN-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(CCCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2)CC1=O
InChIInChI=1S/C29H36FN3O3/c1-31-21-24(20-27(31)34)29(36)33(26-8-4-2-5-9-26)17-7-3-6-16-32-18-14-23(15-19-32)28(35)22-10-12-25(30)13-11-22/h2,4-5,8-13,23-24H,3,6-7,14-21H2,1H3
InChIKeyJIGAEYJIAMZACL-UHFFFAOYSA-N
MW493.62 g/mol
LogP4.40
Rot. Bonds10

About N-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

N-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 514964) has the molecular formula C29H36FN3O3 and a molecular weight of 493.62 g/mol. Its IUPAC name is N-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID514964
Molecular FormulaC29H36FN3O3
Molecular Weight493.62 g/mol
Exact Mass493.27
IUPAC NameN-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(CCCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2)CC1=O
InChIInChI=1S/C29H36FN3O3/c1-31-21-24(20-27(31)34)29(36)33(26-8-4-2-5-9-26)17-7-3-6-16-32-18-14-23(15-19-32)28(35)22-10-12-25(30)13-11-22/h2,4-5,8-13,23-24H,3,6-7,14-21H2,1H3
InChIKeyJIGAEYJIAMZACL-UHFFFAOYSA-N
XLogP4.40
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.62
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 514964) is N-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is CN1CC(C(=O)N(CCCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2)CC1=O.
What is the InChIKey of N-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is JIGAEYJIAMZACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36FN3O3/c1-31-21-24(20-27(31)34)29(36)33(26-8-4-2-5-9-26)17-7-3-6-16-32-18-14-23(15-19-32)28(35)22-10-12-25(30)13-11-22/h2,4-5,8-13,23-24H,3,6-7,14-21H2,1H3.
What are the key properties of N-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
N-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 493.62 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 514964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).