N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C23H25F2N3O2 — CID 56513321

IUPACN-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(Nc1cc(F)c(N2CCCC2)c(F)c1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C23H25F2N3O2/c24-18-14-17(15-19(25)22(18)27-11-6-7-12-27)26-23(30)21(16-8-2-1-3-9-16)28-13-5-4-10-20(28)29/h1-3,8-9,14-15,21H,4-7,10-13H2,(H,26,30)
InChIKeyAWBWXNDNIQFMIT-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.26
Rot. Bonds5

About N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56513321) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56513321
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC NameN-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(Nc1cc(F)c(N2CCCC2)c(F)c1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C23H25F2N3O2/c24-18-14-17(15-19(25)22(18)27-11-6-7-12-27)26-23(30)21(16-8-2-1-3-9-16)28-13-5-4-10-20(28)29/h1-3,8-9,14-15,21H,4-7,10-13H2,(H,26,30)
InChIKeyAWBWXNDNIQFMIT-UHFFFAOYSA-N
XLogP4.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid
CID 119219540
(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 99816438
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515457
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 56515108
(2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 96514873
N-[4-[(3-fluorophenyl)sulfamoyl]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56514636
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814
N-(3-cyclopentyloxyphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515228
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56516841
N-cyclopentyl-4-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzamide
CID 56513712
2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate
CID 56577209

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56513321) is N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is AWBWXNDNIQFMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c24-18-14-17(15-19(25)22(18)27-11-6-7-12-27)26-23(30)21(16-8-2-1-3-9-16)28-13-5-4-10-20(28)29/h1-3,8-9,14-15,21H,4-7,10-13H2,(H,26,30).
What are the key properties of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 413.47 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56513321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).