2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride

C16H32ClN3O — CID 119393131

IUPAC2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(CC1CCCCCC1)NCCCN1CCNCC1
InChIInChI=1S/C16H31N3O.ClH/c20-16(14-15-6-3-1-2-4-7-15)18-8-5-11-19-12-9-17-10-13-19;/h15,17H,1-14H2,(H,18,20);1H
InChIKeyLDDBFEGTBSQOEJ-UHFFFAOYSA-N
MW317.91 g/mol
LogP2.18
Rot. Bonds6

About 2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride

2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 119393131) has the molecular formula C16H32ClN3O and a molecular weight of 317.91 g/mol. Its IUPAC name is 2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
PubChem CID119393131
Molecular FormulaC16H32ClN3O
Molecular Weight317.91 g/mol
Exact Mass317.22
IUPAC Name2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(CC1CCCCCC1)NCCCN1CCNCC1
InChIInChI=1S/C16H31N3O.ClH/c20-16(14-15-6-3-1-2-4-7-15)18-8-5-11-19-12-9-17-10-13-19;/h15,17H,1-14H2,(H,18,20);1H
InChIKeyLDDBFEGTBSQOEJ-UHFFFAOYSA-N
XLogP2.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.91
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride
CID 119391449
ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide
CID 177321931
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
CID 46295224
N-[2-[[N-[3-(azepan-1-yl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111324449
N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine
CID 115230614
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide
CID 119831249
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119394023
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133
4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide
CID 70429171
2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 115736845
2-(azetidin-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 64610391
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (CID 119393131) is 2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is Cl.O=C(CC1CCCCCC1)NCCCN1CCNCC1.
What is the InChIKey of 2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is LDDBFEGTBSQOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.ClH/c20-16(14-15-6-3-1-2-4-7-15)18-8-5-11-19-12-9-17-10-13-19;/h15,17H,1-14H2,(H,18,20);1H.
What are the key properties of 2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 317.91 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 119393131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).