2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide

C21H30N4O3 — CID 51933528

IUPAC2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(C)C[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O
InChIInChI=1S/C21H30N4O3/c1-15(2)13-21(3)19(27)25(20(28)23-21)14-18(26)22-16-7-9-17(10-8-16)24-11-5-4-6-12-24/h7-10,15H,4-6,11-14H2,1-3H3,(H,22,26)(H,23,28)/t21-/m0/s1
InChIKeyCCKOTYJCOWTUHJ-NRFANRHFSA-N
MW386.50 g/mol
LogP2.97
Rot. Bonds6

About 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide

2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 51933528) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID51933528
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(C)C[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O
InChIInChI=1S/C21H30N4O3/c1-15(2)13-21(3)19(27)25(20(28)23-21)14-18(26)22-16-7-9-17(10-8-16)24-11-5-4-6-12-24/h7-10,15H,4-6,11-14H2,1-3H3,(H,22,26)(H,23,28)/t21-/m0/s1
InChIKeyCCKOTYJCOWTUHJ-NRFANRHFSA-N
XLogP2.97
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 5002767
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42897977
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42918889
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 42997995
N-[4-(difluoromethoxy)phenyl]-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2436781
N-(3-fluoro-4-methylphenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2430195
3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 51138847
N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41139200
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 512844
N-(3-methoxyphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4306751
2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 51138861
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 42964362

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 51933528) is 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide is CC(C)C[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O.
What is the InChIKey of 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is CCKOTYJCOWTUHJ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-15(2)13-21(3)19(27)25(20(28)23-21)14-18(26)22-16-7-9-17(10-8-16)24-11-5-4-6-12-24/h7-10,15H,4-6,11-14H2,1-3H3,(H,22,26)(H,23,28)/t21-/m0/s1.
What are the key properties of 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 51933528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).