5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

C28H34FN3O3 — CID 42869336

IUPAC5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCc1cc(C2CC(C(=O)NCCCN3CCCC3=O)CN(C(=O)Cc3ccccc3)C2)ccc1F
InChIInChI=1S/C28H34FN3O3/c1-20-15-22(10-11-25(20)29)23-17-24(28(35)30-12-6-14-31-13-5-9-26(31)33)19-32(18-23)27(34)16-21-7-3-2-4-8-21/h2-4,7-8,10-11,15,23-24H,5-6,9,12-14,16-19H2,1H3,(H,30,35)
InChIKeyXHWYOCZRXKRVMO-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.44
Rot. Bonds8

About 5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 42869336) has the molecular formula C28H34FN3O3 and a molecular weight of 479.60 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID42869336
Molecular FormulaC28H34FN3O3
Molecular Weight479.60 g/mol
Exact Mass479.26
IUPAC Name5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCc1cc(C2CC(C(=O)NCCCN3CCCC3=O)CN(C(=O)Cc3ccccc3)C2)ccc1F
InChIInChI=1S/C28H34FN3O3/c1-20-15-22(10-11-25(20)29)23-17-24(28(35)30-12-6-14-31-13-5-9-26(31)33)19-32(18-23)27(34)16-21-7-3-2-4-8-21/h2-4,7-8,10-11,15,23-24H,5-6,9,12-14,16-19H2,1H3,(H,30,35)
InChIKeyXHWYOCZRXKRVMO-UHFFFAOYSA-N
XLogP3.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.44
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

N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide
CID 42869320
(3R,5R)-5-(4-fluoro-3-methylphenyl)-1-N-phenyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 92997150
(3R,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93001938
(3R,5R)-3-N-(1,3-benzodioxol-5-ylmethyl)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)piperidine-1,3-dicarboxamide
CID 92997174
(3S,5R)-1-acetyl-5-(4-fluoro-3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92996611
(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996848
(3R,5S)-1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 92996923
(3R,5R)-1-(cyclopentanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92996862
(3S,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[(1R)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 129420900
N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide
CID 78802507
1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 46684406
1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 46067504

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 42869336) is 5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is Cc1cc(C2CC(C(=O)NCCCN3CCCC3=O)CN(C(=O)Cc3ccccc3)C2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is XHWYOCZRXKRVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN3O3/c1-20-15-22(10-11-25(20)29)23-17-24(28(35)30-12-6-14-31-13-5-9-26(31)33)19-32(18-23)27(34)16-21-7-3-2-4-8-21/h2-4,7-8,10-11,15,23-24H,5-6,9,12-14,16-19H2,1H3,(H,30,35).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 42869336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).