1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

C23H32N4O3 — CID 2884731

IUPAC1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C2CC(=O)N(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C23H32N4O3/c24-22(30)23(26-12-5-2-6-13-26)10-15-25(16-11-23)19-17-20(28)27(21(19)29)14-9-18-7-3-1-4-8-18/h1,3-4,7-8,19H,2,5-6,9-17H2,(H2,24,30)
InChIKeyNDZYVJKKAZUJAO-UHFFFAOYSA-N
MW412.53 g/mol
LogP1.16
Rot. Bonds6

About 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 2884731) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID2884731
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(C2CC(=O)N(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C23H32N4O3/c24-22(30)23(26-12-5-2-6-13-26)10-15-25(16-11-23)19-17-20(28)27(21(19)29)14-9-18-7-3-1-4-8-18/h1,3-4,7-8,19H,2,5-6,9-17H2,(H2,24,30)
InChIKeyNDZYVJKKAZUJAO-UHFFFAOYSA-N
XLogP1.16
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 2884731) is 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(C2CC(=O)N(CCc3ccccc3)C2=O)CC1.
What is the InChIKey of 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is NDZYVJKKAZUJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c24-22(30)23(26-12-5-2-6-13-26)10-15-25(16-11-23)19-17-20(28)27(21(19)29)14-9-18-7-3-1-4-8-18/h1,3-4,7-8,19H,2,5-6,9-17H2,(H2,24,30).
What are the key properties of 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 2884731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).