N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;hydrochloride

C18H28ClN5O — CID 6602522

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCN(c2ncccn2)CC1)NCCC1=CCCCC1
InChIInChI=1S/C18H27N5O.ClH/c24-17(19-10-7-16-5-2-1-3-6-16)15-22-11-13-23(14-12-22)18-20-8-4-9-21-18;/h4-5,8-9H,1-3,6-7,10-15H2,(H,19,24);1H
InChIKeyZIUWFHUNAZOTEM-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.03
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;hydrochloride

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;hydrochloride (PubChem CID 6602522) has the molecular formula C18H28ClN5O and a molecular weight of 365.91 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;hydrochloride
PubChem CID6602522
Molecular FormulaC18H28ClN5O
Molecular Weight365.91 g/mol
Exact Mass365.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCN(c2ncccn2)CC1)NCCC1=CCCCC1
InChIInChI=1S/C18H27N5O.ClH/c24-17(19-10-7-16-5-2-1-3-6-16)15-22-11-13-23(14-12-22)18-20-8-4-9-21-18;/h4-5,8-9H,1-3,6-7,10-15H2,(H,19,24);1H
InChIKeyZIUWFHUNAZOTEM-UHFFFAOYSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;hydrochloride (CID 6602522) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;hydrochloride is Cl.O=C(CN1CCN(c2ncccn2)CC1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;hydrochloride?
The InChIKey is ZIUWFHUNAZOTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O.ClH/c24-17(19-10-7-16-5-2-1-3-6-16)15-22-11-13-23(14-12-22)18-20-8-4-9-21-18;/h4-5,8-9H,1-3,6-7,10-15H2,(H,19,24);1H.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;hydrochloride?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 6602522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).