N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

C24H27ClN4O3 — CID 26292277

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)C1=O
InChIInChI=1S/C24H27ClN4O3/c1-2-24(17-9-5-3-6-10-17)22(31)29(23(32)27-24)16-21(30)26-19-15-18(25)11-12-20(19)28-13-7-4-8-14-28/h3,5-6,9-12,15H,2,4,7-8,13-14,16H2,1H3,(H,26,30)(H,27,32)/t24-/m1/s1
InChIKeyWZODLDRCRYGLMF-XMMPIXPASA-N
MW454.96 g/mol
LogP4.13
Rot. Bonds6

About N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide

N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (PubChem CID 26292277) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
PubChem CID26292277
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)C1=O
InChIInChI=1S/C24H27ClN4O3/c1-2-24(17-9-5-3-6-10-17)22(31)29(23(32)27-24)16-21(30)26-19-15-18(25)11-12-20(19)28-13-7-4-8-14-28/h3,5-6,9-12,15H,2,4,7-8,13-14,16H2,1H3,(H,26,30)(H,27,32)/t24-/m1/s1
InChIKeyWZODLDRCRYGLMF-XMMPIXPASA-N
XLogP4.13
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-piperidin-1-ylphenyl)acetamide
CID 26871371
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 16552602
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 40975116
N-(2-benzoyl-4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41209043
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25352322
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 46606177
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 16545970
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2582755
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 24565800
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 8009535

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide (CID 26292277) is N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)C1=O.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
The InChIKey is WZODLDRCRYGLMF-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27ClN4O3/c1-2-24(17-9-5-3-6-10-17)22(31)29(23(32)27-24)16-21(30)26-19-15-18(25)11-12-20(19)28-13-7-4-8-14-28/h3,5-6,9-12,15H,2,4,7-8,13-14,16H2,1H3,(H,26,30)(H,27,32)/t24-/m1/s1.
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide has a molecular weight of 454.96 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 26292277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).