2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

C15H27ClN4O3 — CID 119463484

IUPAC2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCCC1(CC)NC(=O)N(CC(=O)NCC2CCCNC2)C1=O.Cl
InChIInChI=1S/C15H26N4O3.ClH/c1-3-15(4-2)13(21)19(14(22)18-15)10-12(20)17-9-11-6-5-7-16-8-11;/h11,16H,3-10H2,1-2H3,(H,17,20)(H,18,22);1H
InChIKeyOEUARZJTVPHEIU-UHFFFAOYSA-N
MW346.86 g/mol
LogP0.63
Rot. Bonds6

About 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (PubChem CID 119463484) has the molecular formula C15H27ClN4O3 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
PubChem CID119463484
Molecular FormulaC15H27ClN4O3
Molecular Weight346.86 g/mol
Exact Mass346.18
IUPAC Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCCC1(CC)NC(=O)N(CC(=O)NCC2CCCNC2)C1=O.Cl
InChIInChI=1S/C15H26N4O3.ClH/c1-3-15(4-2)13(21)19(14(22)18-15)10-12(20)17-9-11-6-5-7-16-8-11;/h11,16H,3-10H2,1-2H3,(H,17,20)(H,18,22);1H
InChIKeyOEUARZJTVPHEIU-UHFFFAOYSA-N
XLogP0.63
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119461326
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463720
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119463677
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463240
N-(2-aminoethyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119384721
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-3-yl)acetamide
CID 120577917
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119559360
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
2-(diethylamino)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460245
N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
CID 119260132
N-(3-aminopropyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 119408013

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (CID 119463484) is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is CCC1(CC)NC(=O)N(CC(=O)NCC2CCCNC2)C1=O.Cl.
What is the InChIKey of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is OEUARZJTVPHEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3.ClH/c1-3-15(4-2)13(21)19(14(22)18-15)10-12(20)17-9-11-6-5-7-16-8-11;/h11,16H,3-10H2,1-2H3,(H,17,20)(H,18,22);1H.
What are the key properties of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119463484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).