N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide

C20H28N4O5 — CID 55820039

IUPACN-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C20H28N4O5/c1-28-14-15-29-17-6-4-16(5-7-17)21-20(27)24-12-10-23(11-13-24)19(26)18(25)22-8-2-3-9-22/h4-7H,2-3,8-15H2,1H3,(H,21,27)
InChIKeyMYSGKJPSPGROMY-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.01
Rot. Bonds5

About N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide

N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide (PubChem CID 55820039) has the molecular formula C20H28N4O5 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide
PubChem CID55820039
Molecular FormulaC20H28N4O5
Molecular Weight404.47 g/mol
Exact Mass404.21
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C20H28N4O5/c1-28-14-15-29-17-6-4-16(5-7-17)21-20(27)24-12-10-23(11-13-24)19(26)18(25)22-8-2-3-9-22/h4-7H,2-3,8-15H2,1H3,(H,21,27)
InChIKeyMYSGKJPSPGROMY-UHFFFAOYSA-N
XLogP1.01
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
N-[4-(2-methoxyethoxy)phenyl]-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55697487
2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid
CID 63772208
2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54814562
N-[4-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]azepane-1-carboxamide
CID 119761543
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
[4-(piperidine-1-carbonylamino)phenyl] hypofluorite
CID 71166566
N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide
CID 79160192
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
CID 144843106
N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
CID 47262655

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide (CID 55820039) is N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide is COCCOc1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide?
The InChIKey is MYSGKJPSPGROMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5/c1-28-14-15-29-17-6-4-16(5-7-17)21-20(27)24-12-10-23(11-13-24)19(26)18(25)22-8-2-3-9-22/h4-7H,2-3,8-15H2,1H3,(H,21,27).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide?
N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide is sourced from PubChem (CID 55820039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).