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

C27H32FN3O3 — CID 514962

IUPACN-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(CCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2)CC1=O
InChIInChI=1S/C27H32FN3O3/c1-29-19-22(18-25(29)32)27(34)31(24-6-3-2-4-7-24)15-5-14-30-16-12-21(13-17-30)26(33)20-8-10-23(28)11-9-20/h2-4,6-11,21-22H,5,12-19H2,1H3
InChIKeyOFTNWUUCOLONDQ-UHFFFAOYSA-N
MW465.57 g/mol
LogP3.62
Rot. Bonds8

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

N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 514962) has the molecular formula C27H32FN3O3 and a molecular weight of 465.57 g/mol. Its IUPAC name is N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID514962
Molecular FormulaC27H32FN3O3
Molecular Weight465.57 g/mol
Exact Mass465.24
IUPAC NameN-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(CCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2)CC1=O
InChIInChI=1S/C27H32FN3O3/c1-29-19-22(18-25(29)32)27(34)31(24-6-3-2-4-7-24)15-5-14-30-16-12-21(13-17-30)26(33)20-8-10-23(28)11-9-20/h2-4,6-11,21-22H,5,12-19H2,1H3
InChIKeyOFTNWUUCOLONDQ-UHFFFAOYSA-N
XLogP3.62
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 514962) is N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is CN1CC(C(=O)N(CCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2)CC1=O.
What is the InChIKey of N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is OFTNWUUCOLONDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O3/c1-29-19-22(18-25(29)32)27(34)31(24-6-3-2-4-7-24)15-5-14-30-16-12-21(13-17-30)26(33)20-8-10-23(28)11-9-20/h2-4,6-11,21-22H,5,12-19H2,1H3.
What are the key properties of N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 465.57 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 514962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).