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

C17H28N4O3 — CID 3845022

IUPAC1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCCN1C(=O)CC(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)
InChIKeyZLDCFYPAOLYFBQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.06
Rot. Bonds4

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

1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 3845022) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID3845022
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESCCN1C(=O)CC(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)
InChIKeyZLDCFYPAOLYFBQ-UHFFFAOYSA-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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Related Compounds

1'-Propionyl-1,4'-bipiperidine-4'-carboxamide
CID 1505268
1'-(1-Methyl-2,5-dioxopyrrolidin-3-yl)-1,4'-bipiperidine-4'-carboxamide
CID 586837
1-(1-Methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 2859665
1-(2,5-Dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2936270
3-[4-(1-Piperidinylcarbonyl)-1-piperidinyl]-2,5-pyrrolidinedione
CID 2979075
1-(1-Ethyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 2936261
9-(1-Fluorocyclopropanecarbonyl)-1-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 131688059
1-Methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 3106524
4-Isobutyl-3-{2-oxo-2-[4-(1-pyrrolidinylcarbonyl)-1-piperidinyl]ethyl}-2-piperazinone
CID 45171785
4-(2,2-Dimethylpropyl)-3-(2-oxo-2-{4-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-2-piperazinone
CID 45933139
1H-Pyrrole-2,5-dione, 1-ethyl-3-[4-[2-(4-ethyl-1-piperidinyl)ethyl]-1-piperidinyl]dihydro-
CID 16763141
[4-(Propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 20813712

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide (CID 3845022) is 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide is CCN1C(=O)CC(N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O.
What is the InChIKey of 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is ZLDCFYPAOLYFBQ-UHFFFAOYSA-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).
What are the key properties of 1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide?
1-(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-(1-ethyl-2,5-dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3845022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).