N-[(1-benzylpiperidin-4-yl)methyl]-2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide

C27H32FN3O3 — CID 42435080

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
SMILESCN(CC1CCN(Cc2ccccc2)CC1)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C)C1=O
InChIInChI=1S/C27H32FN3O3/c1-29(18-21-11-13-31(14-12-21)19-20-7-4-3-5-8-20)24(32)16-27(17-25(33)30(2)26(27)34)22-9-6-10-23(28)15-22/h3-10,15,21H,11-14,16-19H2,1-2H3/t27-/m1/s1
InChIKeyVBMHJWHNLLENOX-HHHXNRCGSA-N
MW465.57 g/mol
LogP3.21
Rot. Bonds7

About N-[(1-benzylpiperidin-4-yl)methyl]-2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide

N-[(1-benzylpiperidin-4-yl)methyl]-2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide (PubChem CID 42435080) has the molecular formula C27H32FN3O3 and a molecular weight of 465.57 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
PubChem CID42435080
Molecular FormulaC27H32FN3O3
Molecular Weight465.57 g/mol
Exact Mass465.24
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
SMILESCN(CC1CCN(Cc2ccccc2)CC1)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C)C1=O
InChIInChI=1S/C27H32FN3O3/c1-29(18-21-11-13-31(14-12-21)19-20-7-4-3-5-8-20)24(32)16-27(17-25(33)30(2)26(27)34)22-9-6-10-23(28)15-22/h3-10,15,21H,11-14,16-19H2,1-2H3/t27-/m1/s1
InChIKeyVBMHJWHNLLENOX-HHHXNRCGSA-N
XLogP3.21
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-fluorophenyl)-1-methylpyrrolidine-2,5-dione
CID 42449348
ethyl 2-[[2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]acetyl]-methylamino]acetate
CID 45250180
(3S)-3-(3-fluorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 42369572
2-[3-(3-fluorophenyl)-2,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 45211853
3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-(4-phenylazepan-1-yl)ethyl]pyrrolidine-2,5-dione
CID 45223572
2-[(3S)-2,5-dioxo-3-phenyl-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
CID 125160229
ethyl 2-[(2R)-1-[2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]acetyl]piperidin-2-yl]acetate
CID 25327742
N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 70777786
2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 126464486
N-[(1-benzylpiperidin-4-yl)methyl]-1-ethyl-N-methyl-2-oxopyridine-4-carboxamide
CID 70716067
(3S)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 42192717
N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide
CID 70708863

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide (CID 42435080) is N-[(1-benzylpiperidin-4-yl)methyl]-2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide is CN(CC1CCN(Cc2ccccc2)CC1)C(=O)C[C@]1(c2cccc(F)c2)CC(=O)N(C)C1=O.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is VBMHJWHNLLENOX-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H32FN3O3/c1-29(18-21-11-13-31(14-12-21)19-20-7-4-3-5-8-20)24(32)16-27(17-25(33)30(2)26(27)34)22-9-6-10-23(28)15-22/h3-10,15,21H,11-14,16-19H2,1-2H3/t27-/m1/s1.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
N-[(1-benzylpiperidin-4-yl)methyl]-2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 465.57 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-2-[(3R)-3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 42435080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).