2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide

C22H39N3O2 — CID 46295224

IUPAC2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCCN1CCCCC1
InChIInChI=1S/C22H39N3O2/c26-21(23-12-7-15-24-13-5-2-6-14-24)18-19-10-16-25(17-11-19)22(27)20-8-3-1-4-9-20/h19-20H,1-18H2,(H,23,26)
InChIKeyJSLNZTFVRAVQDG-UHFFFAOYSA-N
MW377.57 g/mol
LogP3.19
Rot. Bonds7

About 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 46295224) has the molecular formula C22H39N3O2 and a molecular weight of 377.57 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID46295224
Molecular FormulaC22H39N3O2
Molecular Weight377.57 g/mol
Exact Mass377.30
IUPAC Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCCN1CCCCC1
InChIInChI=1S/C22H39N3O2/c26-21(23-12-7-15-24-13-5-2-6-14-24)18-19-10-16-25(17-11-19)22(27)20-8-3-1-4-9-20/h19-20H,1-18H2,(H,23,26)
InChIKeyJSLNZTFVRAVQDG-UHFFFAOYSA-N
XLogP3.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 50768066
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 46295214
N-[2-[[N-[3-(azepan-1-yl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111324449
2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393131
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(azepan-1-yl)propyl]acetamide
CID 119831249
2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride
CID 119391449
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835575
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46295211
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
methyl 2,4-dimethyl-5-[4-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 50787453
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[3-(4-cyclohexylpiperazin-1-yl)propyl]acetamide
CID 46295293
2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 63613064

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide (CID 46295224) is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide is O=C(CC1CCN(C(=O)C2CCCCC2)CC1)NCCCN1CCCCC1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is JSLNZTFVRAVQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O2/c26-21(23-12-7-15-24-13-5-2-6-14-24)18-19-10-16-25(17-11-19)22(27)20-8-3-1-4-9-20/h19-20H,1-18H2,(H,23,26).
What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 377.57 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 46295224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).