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

C15H27ClN4O3 — CID 119463677

IUPAC4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
SMILESCC1(C)NC(=O)N(CCCC(=O)NCC2CCCNC2)C1=O.Cl
InChIInChI=1S/C15H26N4O3.ClH/c1-15(2)13(21)19(14(22)18-15)8-4-6-12(20)17-10-11-5-3-7-16-9-11;/h11,16H,3-10H2,1-2H3,(H,17,20)(H,18,22);1H
InChIKeyZQKIPSIDLZRJIU-UHFFFAOYSA-N
MW346.86 g/mol
LogP0.63
Rot. Bonds6

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

4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride (PubChem CID 119463677) 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-(piperidin-3-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
PubChem CID119463677
Molecular FormulaC15H27ClN4O3
Molecular Weight346.86 g/mol
Exact Mass346.18
IUPAC Name4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
SMILESCC1(C)NC(=O)N(CCCC(=O)NCC2CCCNC2)C1=O.Cl
InChIInChI=1S/C15H26N4O3.ClH/c1-15(2)13(21)19(14(22)18-15)8-4-6-12(20)17-10-11-5-3-7-16-9-11;/h11,16H,3-10H2,1-2H3,(H,17,20)(H,18,22);1H
InChIKeyZQKIPSIDLZRJIU-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-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463484
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-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
N-(3-aminobutyl)-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide;hydrochloride
CID 119498732
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463720
6-(2,5-dioxopyrrol-1-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]hexanamide
CID 90065514
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-piperidin-3-ylpropanamide
CID 119425679
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide
CID 18128280
2,2,3,3-tetramethyl-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 66475790
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463240

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
The IUPAC name of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride (CID 119463677) is 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride is CC1(C)NC(=O)N(CCCC(=O)NCC2CCCNC2)C1=O.Cl.
What is the InChIKey of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
The InChIKey is ZQKIPSIDLZRJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3.ClH/c1-15(2)13(21)19(14(22)18-15)8-4-6-12(20)17-10-11-5-3-7-16-9-11;/h11,16H,3-10H2,1-2H3,(H,17,20)(H,18,22);1H.
What are the key properties of 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride?
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;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 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119463677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).