N-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide

C18H24N4O4 — CID 129009431

IUPACN-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C(=O)N2CCCC(N3CCNCC3=O)C2)cc1
InChIInChI=1S/C18H24N4O4/c1-26-15-6-4-13(5-7-15)20-17(24)18(25)21-9-2-3-14(12-21)22-10-8-19-11-16(22)23/h4-7,14,19H,2-3,8-12H2,1H3,(H,20,24)
InChIKeyZDVCNFHEPNWPGI-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.06
Rot. Bonds3

About N-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide

N-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide (PubChem CID 129009431) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide
PubChem CID129009431
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)C(=O)N2CCCC(N3CCNCC3=O)C2)cc1
InChIInChI=1S/C18H24N4O4/c1-26-15-6-4-13(5-7-15)20-17(24)18(25)21-9-2-3-14(12-21)22-10-8-19-11-16(22)23/h4-7,14,19H,2-3,8-12H2,1H3,(H,20,24)
InChIKeyZDVCNFHEPNWPGI-UHFFFAOYSA-N
XLogP0.06
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-(4-methoxyphenyl)-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]propanamide
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1-[(3R)-1-[(2S,3S)-2-methylpiperidine-3-carbonyl]piperidin-3-yl]piperazin-2-one
CID 129347358
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(3S)-N-(4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)piperidine-1-carbothioamide
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(3aS)-N-(4-methoxyphenyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-5-carboxamide
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(3R)-N-(4-fluorophenyl)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 94782811
2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502665
N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
CID 144843106
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
N-(4-methoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide (CID 129009431) is N-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide is COc1ccc(NC(=O)C(=O)N2CCCC(N3CCNCC3=O)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide?
The InChIKey is ZDVCNFHEPNWPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-26-15-6-4-13(5-7-15)20-17(24)18(25)21-9-2-3-14(12-21)22-10-8-19-11-16(22)23/h4-7,14,19H,2-3,8-12H2,1H3,(H,20,24).
What are the key properties of N-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide?
N-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide has a molecular weight of 360.41 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 129009431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).