2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide

C20H35N3O2 — CID 154859661

IUPAC2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide
SMILESCC(NC(=O)C(=O)N1CCC(C2CCCC2)CC1)C1CCN(C)CC1
InChIInChI=1S/C20H35N3O2/c1-15(16-7-11-22(2)12-8-16)21-19(24)20(25)23-13-9-18(10-14-23)17-5-3-4-6-17/h15-18H,3-14H2,1-2H3,(H,21,24)
InChIKeyZILMWPOZJNZTFA-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.26
Rot. Bonds3

About 2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide

2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide (PubChem CID 154859661) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide
PubChem CID154859661
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide
SMILESCC(NC(=O)C(=O)N1CCC(C2CCCC2)CC1)C1CCN(C)CC1
InChIInChI=1S/C20H35N3O2/c1-15(16-7-11-22(2)12-8-16)21-19(24)20(25)23-13-9-18(10-14-23)17-5-3-4-6-17/h15-18H,3-14H2,1-2H3,(H,21,24)
InChIKeyZILMWPOZJNZTFA-UHFFFAOYSA-N
XLogP2.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylpiperidin-4-yl)ethylurea
CID 126990260
2-(4-methylpiperazin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503261
2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoacetic acid
CID 58136033
2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one
CID 43747768
N-[(1S)-1-cyclopentylethyl]-1-methylpiperidin-4-amine
CID 81386748
2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide
CID 108505389
N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine
CID 59870766
(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one
CID 69143170
2-(1-cyclobutylethylamino)-2-oxoacetic acid
CID 104768741
(2R)-2-amino-2-cyclohexyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 91173191
1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propylamino)ethanone;hydrochloride
CID 142209070
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide (CID 154859661) is 2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide is CC(NC(=O)C(=O)N1CCC(C2CCCC2)CC1)C1CCN(C)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide?
The InChIKey is ZILMWPOZJNZTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-15(16-7-11-22(2)12-8-16)21-19(24)20(25)23-13-9-18(10-14-23)17-5-3-4-6-17/h15-18H,3-14H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide?
2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide has a molecular weight of 349.52 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperidin-1-yl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 154859661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).