N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide

C18H26N4O2 — CID 3681923

IUPACN-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccccn2)CC1)C1CCCCC1
InChIInChI=1S/C18H26N4O2/c23-17(14-20-18(24)15-6-2-1-3-7-15)22-12-10-21(11-13-22)16-8-4-5-9-19-16/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,20,24)
InChIKeyYROWNFBZXNJIQR-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.43
Rot. Bonds4

About N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide

N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide (PubChem CID 3681923) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
PubChem CID3681923
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccccn2)CC1)C1CCCCC1
InChIInChI=1S/C18H26N4O2/c23-17(14-20-18(24)15-6-2-1-3-7-15)22-12-10-21(11-13-22)16-8-4-5-9-19-16/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,20,24)
InChIKeyYROWNFBZXNJIQR-UHFFFAOYSA-N
XLogP1.43
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95100125
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide
CID 112994704
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 78804240
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate
CID 112994654
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
N-[1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37476198
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-(2-ethylpiperidin-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004744
1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea
CID 154736160

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide (CID 3681923) is N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide is O=C(NCC(=O)N1CCN(c2ccccn2)CC1)C1CCCCC1.
What is the InChIKey of N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is YROWNFBZXNJIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17(14-20-18(24)15-6-2-1-3-7-15)22-12-10-21(11-13-22)16-8-4-5-9-19-16/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,20,24).
What are the key properties of N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide?
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 3681923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).