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

C19H26ClN3O3 — CID 120888745

IUPAC1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCOCC1(CNC(=O)C2CCN(c3cccc(Cl)c3)C2=O)CCNCC1
InChIInChI=1S/C19H26ClN3O3/c1-26-13-19(6-8-21-9-7-19)12-22-17(24)16-5-10-23(18(16)25)15-4-2-3-14(20)11-15/h2-4,11,16,21H,5-10,12-13H2,1H3,(H,22,24)
InChIKeyULLMHLRKTJLRDD-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.83
Rot. Bonds6

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

1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 120888745) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID120888745
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCOCC1(CNC(=O)C2CCN(c3cccc(Cl)c3)C2=O)CCNCC1
InChIInChI=1S/C19H26ClN3O3/c1-26-13-19(6-8-21-9-7-19)12-22-17(24)16-5-10-23(18(16)25)15-4-2-3-14(20)11-15/h2-4,11,16,21H,5-10,12-13H2,1H3,(H,22,24)
InChIKeyULLMHLRKTJLRDD-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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Related Compounds

1-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide
CID 120888456
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 120891357
N-(2-aminoethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119383815
3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 125151475
N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119497270
1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide;hydrochloride
CID 120892083
1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 136545228
1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 4122939
3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
CID 120888763
1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide
CID 119438316
N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 46062412
1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide
CID 111462855

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide (CID 120888745) is 1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide is COCC1(CNC(=O)C2CCN(c3cccc(Cl)c3)C2=O)CCNCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is ULLMHLRKTJLRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-26-13-19(6-8-21-9-7-19)12-22-17(24)16-5-10-23(18(16)25)15-4-2-3-14(20)11-15/h2-4,11,16,21H,5-10,12-13H2,1H3,(H,22,24).
What are the key properties of 1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide?
1-(3-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-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 120888745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).