4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride

C15H27ClN4O3 — CID 120601198

IUPAC4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCC1CC(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)CCN1.Cl
InChIInChI=1S/C15H26N4O3.ClH/c1-10-9-11(6-7-16-10)17-12(20)5-4-8-19-13(21)15(2,3)18-14(19)22;/h10-11,16H,4-9H2,1-3H3,(H,17,20)(H,18,22);1H
InChIKeyWXWILIVWLNYYMW-UHFFFAOYSA-N
MW346.86 g/mol
LogP0.78
Rot. Bonds5

About 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride (PubChem CID 120601198) has the molecular formula C15H27ClN4O3 and a molecular weight of 346.86 g/mol. Its IUPAC name is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
PubChem CID120601198
Molecular FormulaC15H27ClN4O3
Molecular Weight346.86 g/mol
Exact Mass346.18
IUPAC Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCC1CC(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)CCN1.Cl
InChIInChI=1S/C15H26N4O3.ClH/c1-10-9-11(6-7-16-10)17-12(20)5-4-8-19-13(21)15(2,3)18-14(19)22;/h10-11,16H,4-9H2,1-3H3,(H,17,20)(H,18,22);1H
InChIKeyWXWILIVWLNYYMW-UHFFFAOYSA-N
XLogP0.78
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 50.78
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

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-methylcyclopentyl)propanamide
CID 114549974
ethyl 3-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoylamino]cyclopentane-1-carboxylate
CID 75427428
N-(2-methylpiperidin-4-yl)hexanamide
CID 106995560
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 124725635
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119463677
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(6-oxopiperidin-3-yl)propanamide
CID 62896427
4-(dipropylamino)-N-(2-methylpiperidin-4-yl)butanamide;dihydrochloride
CID 120602359
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450875
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxycyclohexyl)propanamide
CID 62367006
3-(dimethylamino)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995184
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)butanamide
CID 106995303

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride?
The IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride (CID 120601198) is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride?
The canonical SMILES for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride is CC1CC(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)CCN1.Cl.
What is the InChIKey of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride?
The InChIKey is WXWILIVWLNYYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3.ClH/c1-10-9-11(6-7-16-10)17-12(20)5-4-8-19-13(21)15(2,3)18-14(19)22;/h10-11,16H,4-9H2,1-3H3,(H,17,20)(H,18,22);1H.
What are the key properties of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride?
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 120601198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).