N-[3-(4-fluorophenyl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

C22H30FN3O3 — CID 24790498

IUPACN-[3-(4-fluorophenyl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCc1ccc(F)cc1)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C22H30FN3O3/c23-19-9-6-17(7-10-19)4-1-12-24-22(29)18-8-11-21(28)26(16-18)15-3-14-25-13-2-5-20(25)27/h6-7,9-10,18H,1-5,8,11-16H2,(H,24,29)
InChIKeyKOAKCYQYLCXGQE-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.13
Rot. Bonds9

About N-[3-(4-fluorophenyl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

N-[3-(4-fluorophenyl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 24790498) has the molecular formula C22H30FN3O3 and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID24790498
Molecular FormulaC22H30FN3O3
Molecular Weight403.50 g/mol
Exact Mass403.23
IUPAC NameN-[3-(4-fluorophenyl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESO=C(NCCCc1ccc(F)cc1)C1CCC(=O)N(CCCN2CCCC2=O)C1
InChIInChI=1S/C22H30FN3O3/c23-19-9-6-17(7-10-19)4-1-12-24-22(29)18-8-11-21(28)26(16-18)15-3-14-25-13-2-5-20(25)27/h6-7,9-10,18H,1-5,8,11-16H2,(H,24,29)
InChIKeyKOAKCYQYLCXGQE-UHFFFAOYSA-N
XLogP2.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

BN-201
CID 66610682
1-cyclopentyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 5090685
1-[2-(4-Fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6462581
N-cyclohexyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497407
1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 6497419
1-cyclopropyl-N-(2,3-difluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24793923
1-(2-Phenylethyl)-3-piperidinecarboxamide
CID 2845828
1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
CID 4251323
(3S,5S)-N-(2-phenylethyl)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidine-3-carboxamide
CID 23646022
N-(4-fluorobenzyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 3239601
1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 3244764
N-(4-fluorobenzyl)-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3448158

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (CID 24790498) is N-[3-(4-fluorophenyl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is O=C(NCCCc1ccc(F)cc1)C1CCC(=O)N(CCCN2CCCC2=O)C1.
What is the InChIKey of N-[3-(4-fluorophenyl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is KOAKCYQYLCXGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O3/c23-19-9-6-17(7-10-19)4-1-12-24-22(29)18-8-11-21(28)26(16-18)15-3-14-25-13-2-5-20(25)27/h6-7,9-10,18H,1-5,8,11-16H2,(H,24,29).
What are the key properties of N-[3-(4-fluorophenyl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
N-[3-(4-fluorophenyl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 24790498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).