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

C19H26N4O2 — CID 108984169

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(NCCC1=CCCCC1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H26N4O2/c24-18(21-11-9-16-6-2-1-3-7-16)19(25)23-14-12-22(13-15-23)17-8-4-5-10-20-17/h4-6,8,10H,1-3,7,9,11-15H2,(H,21,24)
InChIKeyGTPKYKIKVLVIOS-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.74
Rot. Bonds4

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

N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 108984169) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID108984169
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(NCCC1=CCCCC1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H26N4O2/c24-18(21-11-9-16-6-2-1-3-7-16)19(25)23-14-12-22(13-15-23)17-8-4-5-10-20-17/h4-6,8,10H,1-3,7,9,11-15H2,(H,21,24)
InChIKeyGTPKYKIKVLVIOS-UHFFFAOYSA-N
XLogP1.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108528029
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108984156
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108984167
N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43316315
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-[2-(cyclohexen-1-yl)ethyl]-N'-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887197
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972558
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112942990
N-[(2-fluorophenyl)methyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108531549
N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108506944
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113643
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113104871

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 108984169) is N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is O=C(NCCC1=CCCCC1)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is GTPKYKIKVLVIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18(21-11-9-16-6-2-1-3-7-16)19(25)23-14-12-22(13-15-23)17-8-4-5-10-20-17/h4-6,8,10H,1-3,7,9,11-15H2,(H,21,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108984169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).