N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride

C20H29ClFN3O2 — CID 119785245

IUPACN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)C1CCN(c2ccccc2F)C1=O)C1CCNCC1.Cl
InChIInChI=1S/C20H28FN3O2.ClH/c1-14(15-7-10-22-11-8-15)13-19(25)23(2)18-9-12-24(20(18)26)17-6-4-3-5-16(17)21;/h3-6,14-15,18,22H,7-13H2,1-2H3;1H
InChIKeyWMRGUCBAGJKNSJ-UHFFFAOYSA-N
MW397.92 g/mol
LogP2.84
Rot. Bonds5

About N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride

N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119785245) has the molecular formula C20H29ClFN3O2 and a molecular weight of 397.92 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119785245
Molecular FormulaC20H29ClFN3O2
Molecular Weight397.92 g/mol
Exact Mass397.19
IUPAC NameN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C)C1CCN(c2ccccc2F)C1=O)C1CCNCC1.Cl
InChIInChI=1S/C20H28FN3O2.ClH/c1-14(15-7-10-22-11-8-15)13-19(25)23(2)18-9-12-24(20(18)26)17-6-4-3-5-16(17)21;/h3-6,14-15,18,22H,7-13H2,1-2H3;1H
InChIKeyWMRGUCBAGJKNSJ-UHFFFAOYSA-N
XLogP2.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.92
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119951523
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120632886
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119785248
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide
CID 120610765
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride
CID 119783358
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
(3S)-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylmorpholine-3-carboxamide
CID 124684318
(3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 97316471
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119746206
(2R,3S)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylmorpholine-3-carboxamide
CID 120932657
5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid
CID 124687628
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119785221

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride (CID 119785245) is N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)N(C)C1CCN(c2ccccc2F)C1=O)C1CCNCC1.Cl.
What is the InChIKey of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is WMRGUCBAGJKNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2.ClH/c1-14(15-7-10-22-11-8-15)13-19(25)23(2)18-9-12-24(20(18)26)17-6-4-3-5-16(17)21;/h3-6,14-15,18,22H,7-13H2,1-2H3;1H.
What are the key properties of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride?
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 397.92 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119785245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).