N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide

C23H29N5O3 — CID 30639631

IUPACN-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
SMILESCC[C@@]1(C)NC(=O)N(NC(=O)CN2CCN(Cc3cccc4ccccc34)CC2)C1=O
InChIInChI=1S/C23H29N5O3/c1-3-23(2)21(30)28(22(31)24-23)25-20(29)16-27-13-11-26(12-14-27)15-18-9-6-8-17-7-4-5-10-19(17)18/h4-10H,3,11-16H2,1-2H3,(H,24,31)(H,25,29)/t23-/m1/s1
InChIKeyMXEQDECFNGARSK-HSZRJFAPSA-N
MW423.52 g/mol
LogP1.71
Rot. Bonds6

About N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide

N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 30639631) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
PubChem CID30639631
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC NameN-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
SMILESCC[C@@]1(C)NC(=O)N(NC(=O)CN2CCN(Cc3cccc4ccccc34)CC2)C1=O
InChIInChI=1S/C23H29N5O3/c1-3-23(2)21(30)28(22(31)24-23)25-20(29)16-27-13-11-26(12-14-27)15-18-9-6-8-17-7-4-5-10-19(17)18/h4-10H,3,11-16H2,1-2H3,(H,24,31)(H,25,29)/t23-/m1/s1
InChIKeyMXEQDECFNGARSK-HSZRJFAPSA-N
XLogP1.71
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.71
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

2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 43012937
N-(2,6-dimethylphenyl)-2-[4-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 43013305
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 43013052
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 30955896
2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42948771
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 55436806
N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30737456
1-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55738942
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30639648
N-(2-methoxyethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 31001505
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 34205711
(2R)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylpropanamide
CID 8804679

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide (CID 30639631) is N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide is CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCN(Cc3cccc4ccccc34)CC2)C1=O.
What is the InChIKey of N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is MXEQDECFNGARSK-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-3-23(2)21(30)28(22(31)24-23)25-20(29)16-27-13-11-26(12-14-27)15-18-9-6-8-17-7-4-5-10-19(17)18/h4-10H,3,11-16H2,1-2H3,(H,24,31)(H,25,29)/t23-/m1/s1.
What are the key properties of N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide?
N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 423.52 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30639631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).