2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide

C14H26N4O2 — CID 119393442

IUPAC2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
SMILESO=C(CN1CCCCC1=O)NCCCN1CCNCC1
InChIInChI=1S/C14H26N4O2/c19-13(12-18-9-2-1-4-14(18)20)16-5-3-8-17-10-6-15-7-11-17/h15H,1-12H2,(H,16,19)
InChIKeyXWDPKGVYBLHYJF-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.59
Rot. Bonds6

About 2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide

2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide (PubChem CID 119393442) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
PubChem CID119393442
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
SMILESO=C(CN1CCCCC1=O)NCCCN1CCNCC1
InChIInChI=1S/C14H26N4O2/c19-13(12-18-9-2-1-4-14(18)20)16-5-3-8-17-10-6-15-7-11-17/h15H,1-12H2,(H,16,19)
InChIKeyXWDPKGVYBLHYJF-UHFFFAOYSA-N
XLogP-0.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
N-(4-hydroxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 106843150
N-(3-piperazin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 119393716
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391201
N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107024029
N-(3-methoxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 94869868
1-(2-oxo-2-piperazin-1-ylethyl)piperidin-2-one
CID 28824712
2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811989
2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393131

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide (CID 119393442) is 2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide is O=C(CN1CCCCC1=O)NCCCN1CCNCC1.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide?
The InChIKey is XWDPKGVYBLHYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c19-13(12-18-9-2-1-4-14(18)20)16-5-3-8-17-10-6-15-7-11-17/h15H,1-12H2,(H,16,19).
What are the key properties of 2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide?
2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide has a molecular weight of 282.39 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 119393442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).