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

C28H34FN3O3 — CID 514963

IUPACN-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(CCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2)CC1=O
InChIInChI=1S/C28H34FN3O3/c1-30-20-23(19-26(30)33)28(35)32(25-7-3-2-4-8-25)16-6-5-15-31-17-13-22(14-18-31)27(34)21-9-11-24(29)12-10-21/h2-4,7-12,22-23H,5-6,13-20H2,1H3
InChIKeyLQLHYAAEMBCTKK-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.01
Rot. Bonds9

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

N-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 514963) has the molecular formula C28H34FN3O3 and a molecular weight of 479.60 g/mol. Its IUPAC name is N-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID514963
Molecular FormulaC28H34FN3O3
Molecular Weight479.60 g/mol
Exact Mass479.26
IUPAC NameN-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(CCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2)CC1=O
InChIInChI=1S/C28H34FN3O3/c1-30-20-23(19-26(30)33)28(35)32(25-7-3-2-4-8-25)16-6-5-15-31-17-13-22(14-18-31)27(34)21-9-11-24(29)12-10-21/h2-4,7-12,22-23H,5-6,13-20H2,1H3
InChIKeyLQLHYAAEMBCTKK-UHFFFAOYSA-N
XLogP4.01
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.01
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-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 514963) is N-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is CN1CC(C(=O)N(CCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2)CC1=O.
What is the InChIKey of N-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is LQLHYAAEMBCTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN3O3/c1-30-20-23(19-26(30)33)28(35)32(25-7-3-2-4-8-25)16-6-5-15-31-17-13-22(14-18-31)27(34)21-9-11-24(29)12-10-21/h2-4,7-12,22-23H,5-6,13-20H2,1H3.
What are the key properties of N-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
N-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 514963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).