N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide

C17H23N5O3 — CID 108532151

IUPACN-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide
SMILESO=C(NC(=O)C1CCNCC1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H23N5O3/c23-15(13-4-7-18-8-5-13)20-16(24)17(25)22-11-9-21(10-12-22)14-3-1-2-6-19-14/h1-3,6,13,18H,4-5,7-12H2,(H,20,23,24)
InChIKeyXQWFZBMSPNUHAS-UHFFFAOYSA-N
MW345.40 g/mol
LogP-0.63
Rot. Bonds2

About N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide

N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide (PubChem CID 108532151) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide
PubChem CID108532151
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide
SMILESO=C(NC(=O)C1CCNCC1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H23N5O3/c23-15(13-4-7-18-8-5-13)20-16(24)17(25)22-11-9-21(10-12-22)14-3-1-2-6-19-14/h1-3,6,13,18H,4-5,7-12H2,(H,20,23,24)
InChIKeyXQWFZBMSPNUHAS-UHFFFAOYSA-N
XLogP-0.63
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108506944
N-(4-fluorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108512673
N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108532324
N-(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108528029
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 120631278
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 3681923
N-(4-iodo-2-methylphenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108516460
N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43316315
2,2,2-trichloro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 885984
N-[(2-fluorophenyl)methyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108531549
(3,5-dimethyl-1-adamantyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 6467515

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide (CID 108532151) is N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide is O=C(NC(=O)C1CCNCC1)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is XQWFZBMSPNUHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c23-15(13-4-7-18-8-5-13)20-16(24)17(25)22-11-9-21(10-12-22)14-3-1-2-6-19-14/h1-3,6,13,18H,4-5,7-12H2,(H,20,23,24).
What are the key properties of N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide?
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 108532151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).