1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

C23H33N3O4 — CID 42868388

IUPAC1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCOCC(=O)N1CC(C(=O)NCCCN2CCCC2=O)CCC1c1cccc(C)c1
InChIInChI=1S/C23H33N3O4/c1-17-6-3-7-18(14-17)20-10-9-19(15-26(20)22(28)16-30-2)23(29)24-11-5-13-25-12-4-8-21(25)27/h3,6-7,14,19-20H,4-5,8-13,15-16H2,1-2H3,(H,24,29)
InChIKeyYNXFURDHWWBAAT-UHFFFAOYSA-N
MW415.53 g/mol
LogP2.05
Rot. Bonds8

About 1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 42868388) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
PubChem CID42868388
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
SMILESCOCC(=O)N1CC(C(=O)NCCCN2CCCC2=O)CCC1c1cccc(C)c1
InChIInChI=1S/C23H33N3O4/c1-17-6-3-7-18(14-17)20-10-9-19(15-26(20)22(28)16-30-2)23(29)24-11-5-13-25-12-4-8-21(25)27/h3,6-7,14,19-20H,4-5,8-13,15-16H2,1-2H3,(H,24,29)
InChIKeyYNXFURDHWWBAAT-UHFFFAOYSA-N
XLogP2.05
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,6R)-3-N-benzyl-1-N-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 93328595
1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 42849513
1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 46041560
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
(3R,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328136
(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328137
1-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42868375
(3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
CID 92998904
6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42849482
1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42849629
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide
CID 42869320
(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 26407076

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (CID 42868388) is 1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is COCC(=O)N1CC(C(=O)NCCCN2CCCC2=O)CCC1c1cccc(C)c1.
What is the InChIKey of 1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is YNXFURDHWWBAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-17-6-3-7-18(14-17)20-10-9-19(15-26(20)22(28)16-30-2)23(29)24-11-5-13-25-12-4-8-21(25)27/h3,6-7,14,19-20H,4-5,8-13,15-16H2,1-2H3,(H,24,29).
What are the key properties of 1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?
1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 415.53 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-6-(3-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 42868388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).