1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide

C22H29N5O4 — CID 166197523

IUPAC1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(N3CCCC3C(N)=O)CC2)C1=O
InChIInChI=1S/C22H29N5O4/c1-22(15-6-3-2-4-7-15)20(30)27(21(31)24-22)14-18(28)25-12-9-16(10-13-25)26-11-5-8-17(26)19(23)29/h2-4,6-7,16-17H,5,8-14H2,1H3,(H2,23,29)(H,24,31)
InChIKeyMERVORGGVVEYDW-UHFFFAOYSA-N
MW427.51 g/mol
LogP0.39
Rot. Bonds5

About 1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide

1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 166197523) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID166197523
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(N3CCCC3C(N)=O)CC2)C1=O
InChIInChI=1S/C22H29N5O4/c1-22(15-6-3-2-4-7-15)20(30)27(21(31)24-22)14-18(28)25-12-9-16(10-13-25)26-11-5-8-17(26)19(23)29/h2-4,6-7,16-17H,5,8-14H2,1H3,(H2,23,29)(H,24,31)
InChIKeyMERVORGGVVEYDW-UHFFFAOYSA-N
XLogP0.39
TPSA116.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide (CID 166197523) is 1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide is CC1(c2ccccc2)NC(=O)N(CC(=O)N2CCC(N3CCCC3C(N)=O)CC2)C1=O.
What is the InChIKey of 1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is MERVORGGVVEYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-22(15-6-3-2-4-7-15)20(30)27(21(31)24-22)14-18(28)25-12-9-16(10-13-25)26-11-5-8-17(26)19(23)29/h2-4,6-7,16-17H,5,8-14H2,1H3,(H2,23,29)(H,24,31).
What are the key properties of 1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166197523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).