1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

C17H28N4O3 — CID 710213

IUPAC1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCCN1C(=O)C[C@H](N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O
InChIInChI=1S/C17H28N4O3/c1-2-21-14(22)12-13(15(21)23)19-10-6-17(7-11-19,16(18)24)20-8-4-3-5-9-20/h13H,2-12H2,1H3,(H2,18,24)/t13-/m0/s1
InChIKeyZLDCFYPAOLYFBQ-ZDUSSCGKSA-N
MW336.44 g/mol
LogP-0.06
Rot. Bonds4

About 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 710213) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID710213
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCCN1C(=O)C[C@H](N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O
InChIInChI=1S/C17H28N4O3/c1-2-21-14(22)12-13(15(21)23)19-10-6-17(7-11-19,16(18)24)20-8-4-3-5-9-20/h13H,2-12H2,1H3,(H2,18,24)/t13-/m0/s1
InChIKeyZLDCFYPAOLYFBQ-ZDUSSCGKSA-N
XLogP-0.06
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.06
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-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 710213) is 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is CCN1C(=O)C[C@H](N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O.
What is the InChIKey of 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is ZLDCFYPAOLYFBQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-2-21-14(22)12-13(15(21)23)19-10-6-17(7-11-19,16(18)24)20-8-4-3-5-9-20/h13H,2-12H2,1H3,(H2,18,24)/t13-/m0/s1.
What are the key properties of 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 710213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).