2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride

C17H33ClN4O2 — CID 119391449

IUPAC2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride
SMILESCl.O=C(CNC(=O)CC1CCCCC1)NCCCN1CCNCC1
InChIInChI=1S/C17H32N4O2.ClH/c22-16(13-15-5-2-1-3-6-15)20-14-17(23)19-7-4-10-21-11-8-18-9-12-21;/h15,18H,1-14H2,(H,19,23)(H,20,22);1H
InChIKeyLNLSXPIYZBPSJA-UHFFFAOYSA-N
MW360.93 g/mol
LogP0.91
Rot. Bonds8

About 2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride

2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride (PubChem CID 119391449) has the molecular formula C17H33ClN4O2 and a molecular weight of 360.93 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride
PubChem CID119391449
Molecular FormulaC17H33ClN4O2
Molecular Weight360.93 g/mol
Exact Mass360.23
IUPAC Name2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride
SMILESCl.O=C(CNC(=O)CC1CCCCC1)NCCCN1CCNCC1
InChIInChI=1S/C17H32N4O2.ClH/c22-16(13-15-5-2-1-3-6-15)20-14-17(23)19-7-4-10-21-11-8-18-9-12-21;/h15,18H,1-14H2,(H,19,23)(H,20,22);1H
InChIKeyLNLSXPIYZBPSJA-UHFFFAOYSA-N
XLogP0.91
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393131
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]butanamide
CID 119393390
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
CID 46295224
2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 115736845
N-[2-[[N-[3-(azepan-1-yl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111324449
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835575
2-(cyclohexylcarbamoylamino)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448567
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide
CID 119831249
ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide
CID 177321931
2-cyclohexyl-N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]acetamide
CID 119534347
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586
N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine
CID 115230614

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride (CID 119391449) is 2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride is Cl.O=C(CNC(=O)CC1CCCCC1)NCCCN1CCNCC1.
What is the InChIKey of 2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride?
The InChIKey is LNLSXPIYZBPSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2.ClH/c22-16(13-15-5-2-1-3-6-15)20-14-17(23)19-7-4-10-21-11-8-18-9-12-21;/h15,18H,1-14H2,(H,19,23)(H,20,22);1H.
What are the key properties of 2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride?
2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 0.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119391449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).