N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride

C19H27ClFN3O3 — CID 120632886

IUPACN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)N(C)C2CCN(c3ccccc3F)C2=O)CCNCC1.Cl
InChIInChI=1S/C19H26FN3O3.ClH/c1-22(18(25)19(13-26-2)8-10-21-11-9-19)16-7-12-23(17(16)24)15-6-4-3-5-14(15)20;/h3-6,16,21H,7-13H2,1-2H3;1H
InChIKeyUHEVQMJKMYXQPX-UHFFFAOYSA-N
MW399.89 g/mol
LogP1.83
Rot. Bonds5

About N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride

N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120632886) has the molecular formula C19H27ClFN3O3 and a molecular weight of 399.89 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120632886
Molecular FormulaC19H27ClFN3O3
Molecular Weight399.89 g/mol
Exact Mass399.17
IUPAC NameN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)N(C)C2CCN(c3ccccc3F)C2=O)CCNCC1.Cl
InChIInChI=1S/C19H26FN3O3.ClH/c1-22(18(25)19(13-26-2)8-10-21-11-9-19)16-7-12-23(17(16)24)15-6-4-3-5-14(15)20;/h3-6,16,21H,7-13H2,1-2H3;1H
InChIKeyUHEVQMJKMYXQPX-UHFFFAOYSA-N
XLogP1.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.89
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119785248
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119785245
N-cyclopropyl-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120622234
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
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119785319
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119951523
(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-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide
CID 120610765
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119785221
4-(aminomethyl)-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyloxane-4-carboxamide
CID 120932426

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride (CID 120632886) is N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride is COCC1(C(=O)N(C)C2CCN(c3ccccc3F)C2=O)CCNCC1.Cl.
What is the InChIKey of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is UHEVQMJKMYXQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3.ClH/c1-22(18(25)19(13-26-2)8-10-21-11-9-19)16-7-12-23(17(16)24)15-6-4-3-5-14(15)20;/h3-6,16,21H,7-13H2,1-2H3;1H.
What are the key properties of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride?
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 399.89 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120632886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).