1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide

C19H26ClN3O3 — CID 120888456

IUPAC1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCOCC1(CNC(=O)C2CCN(c3ccc(Cl)cc3)C2=O)CCNCC1
InChIInChI=1S/C19H26ClN3O3/c1-26-13-19(7-9-21-10-8-19)12-22-17(24)16-6-11-23(18(16)25)15-4-2-14(20)3-5-15/h2-5,16,21H,6-13H2,1H3,(H,22,24)
InChIKeyHALQNGZLUPYZJE-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.83
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 120888456) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID120888456
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCOCC1(CNC(=O)C2CCN(c3ccc(Cl)cc3)C2=O)CCNCC1
InChIInChI=1S/C19H26ClN3O3/c1-26-13-19(7-9-21-10-8-19)12-22-17(24)16-6-11-23(18(16)25)15-4-2-14(20)3-5-15/h2-5,16,21H,6-13H2,1H3,(H,22,24)
InChIKeyHALQNGZLUPYZJE-UHFFFAOYSA-N
XLogP1.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide (CID 120888456) is 1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide is COCC1(CNC(=O)C2CCN(c3ccc(Cl)cc3)C2=O)CCNCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is HALQNGZLUPYZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-26-13-19(7-9-21-10-8-19)12-22-17(24)16-6-11-23(18(16)25)15-4-2-14(20)3-5-15/h2-5,16,21H,6-13H2,1H3,(H,22,24).
What are the key properties of 1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 120888456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).