(5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

C24H34N4O3 — CID 9320030

IUPAC(5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CN2CCC(C(=O)N3CCCCCC3)CC2)C1=O
InChIInChI=1S/C24H34N4O3/c1-2-24(20-10-6-5-7-11-20)22(30)28(23(31)25-24)18-26-16-12-19(13-17-26)21(29)27-14-8-3-4-9-15-27/h5-7,10-11,19H,2-4,8-9,12-18H2,1H3,(H,25,31)/t24-/m1/s1
InChIKeyXPFMCOZTIULJNC-XMMPIXPASA-N
MW426.56 g/mol
LogP2.92
Rot. Bonds5

About (5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

(5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (PubChem CID 9320030) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is (5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
PubChem CID9320030
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name(5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CN2CCC(C(=O)N3CCCCCC3)CC2)C1=O
InChIInChI=1S/C24H34N4O3/c1-2-24(20-10-6-5-7-11-20)22(30)28(23(31)25-24)18-26-16-12-19(13-17-26)21(29)27-14-8-3-4-9-15-27/h5-7,10-11,19H,2-4,8-9,12-18H2,1H3,(H,25,31)/t24-/m1/s1
InChIKeyXPFMCOZTIULJNC-XMMPIXPASA-N
XLogP2.92
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione with MolForge

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Related Compounds

1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 9325816
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40748676
N-(1,3-benzodioxol-5-yl)-1-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]piperidine-4-carboxamide
CID 31383243
2-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 9319960
3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 42911323
N,N-dicyclohexyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42982708
(5S)-3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 51434252
(5R)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 124734823
N-cyclohexyl-N-ethyl-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242783
(5S)-3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9320017
N-(cyclohexylcarbamoyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179462
methyl (2S)-4-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]thiomorpholine-2-carboxylate
CID 9233252

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione (CID 9320030) is (5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is CC[C@]1(c2ccccc2)NC(=O)N(CN2CCC(C(=O)N3CCCCCC3)CC2)C1=O.
What is the InChIKey of (5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is XPFMCOZTIULJNC-XMMPIXPASA-N. The full InChI is InChI=1S/C24H34N4O3/c1-2-24(20-10-6-5-7-11-20)22(30)28(23(31)25-24)18-26-16-12-19(13-17-26)21(29)27-14-8-3-4-9-15-27/h5-7,10-11,19H,2-4,8-9,12-18H2,1H3,(H,25,31)/t24-/m1/s1.
What are the key properties of (5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione?
(5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 426.56 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 9320030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).