N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide

C21H26N4O5 — CID 124848736

IUPACN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(N2C(=O)N[C@H](CC(=O)NC3CCN(C(=O)C4CC4)CC3)C2=O)cc1
InChIInChI=1S/C21H26N4O5/c1-30-16-6-4-15(5-7-16)25-20(28)17(23-21(25)29)12-18(26)22-14-8-10-24(11-9-14)19(27)13-2-3-13/h4-7,13-14,17H,2-3,8-12H2,1H3,(H,22,26)(H,23,29)/t17-/m1/s1
InChIKeyNIAFLROBJKFJJN-QGZVFWFLSA-N
MW414.46 g/mol
LogP1.03
Rot. Bonds6

About N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 124848736) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID124848736
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(N2C(=O)N[C@H](CC(=O)NC3CCN(C(=O)C4CC4)CC3)C2=O)cc1
InChIInChI=1S/C21H26N4O5/c1-30-16-6-4-15(5-7-16)25-20(28)17(23-21(25)29)12-18(26)22-14-8-10-24(11-9-14)19(27)13-2-3-13/h4-7,13-14,17H,2-3,8-12H2,1H3,(H,22,26)(H,23,29)/t17-/m1/s1
InChIKeyNIAFLROBJKFJJN-QGZVFWFLSA-N
XLogP1.03
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 102564371
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 125429621
N-cyclopropyl-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531992
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124861754
N-cyclohexyl-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124863994
N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823488
N-(1-benzylpiperidin-4-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75490538
2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 91821591
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124849117
N-(2-imidazol-1-ylethyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823097
N-(1H-benzimidazol-2-ylmethyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823091
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 124848736) is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is COc1ccc(N2C(=O)N[C@H](CC(=O)NC3CCN(C(=O)C4CC4)CC3)C2=O)cc1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is NIAFLROBJKFJJN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-30-16-6-4-15(5-7-16)25-20(28)17(23-21(25)29)12-18(26)22-14-8-10-24(11-9-14)19(27)13-2-3-13/h4-7,13-14,17H,2-3,8-12H2,1H3,(H,22,26)(H,23,29)/t17-/m1/s1.
What are the key properties of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 414.46 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 124848736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).