N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide

C18H24FN3O3 — CID 119785248

IUPACN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide
SMILESCOC1(C(=O)N(C)C2CCN(c3ccccc3F)C2=O)CCNCC1
InChIInChI=1S/C18H24FN3O3/c1-21(17(24)18(25-2)8-10-20-11-9-18)15-7-12-22(16(15)23)14-6-4-3-5-13(14)19/h3-6,15,20H,7-12H2,1-2H3
InChIKeySSSJQOMPHUJQGZ-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.16
Rot. Bonds4

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

N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide (PubChem CID 119785248) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide
PubChem CID119785248
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC NameN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide
SMILESCOC1(C(=O)N(C)C2CCN(c3ccccc3F)C2=O)CCNCC1
InChIInChI=1S/C18H24FN3O3/c1-21(17(24)18(25-2)8-10-20-11-9-18)15-7-12-22(16(15)23)14-6-4-3-5-13(14)19/h3-6,15,20H,7-12H2,1-2H3
InChIKeySSSJQOMPHUJQGZ-UHFFFAOYSA-N
XLogP1.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide (CID 119785248) is N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide is COC1(C(=O)N(C)C2CCN(c3ccccc3F)C2=O)CCNCC1.
What is the InChIKey of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide?
The InChIKey is SSSJQOMPHUJQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-21(17(24)18(25-2)8-10-20-11-9-18)15-7-12-22(16(15)23)14-6-4-3-5-13(14)19/h3-6,15,20H,7-12H2,1-2H3.
What are the key properties of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide?
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.16, 4 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-methoxy-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 119785248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).