1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione

C18H29N3O3 — CID 56783511

IUPAC1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
SMILESO=C(CCN1C(=O)CCC1=O)N1CCCC(N2CCCCCC2)C1
InChIInChI=1S/C18H29N3O3/c22-16(9-13-21-17(23)7-8-18(21)24)20-12-5-6-15(14-20)19-10-3-1-2-4-11-19/h15H,1-14H2
InChIKeyNOXRICDIIZWLHU-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.39
Rot. Bonds4

About 1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione

1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione (PubChem CID 56783511) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
PubChem CID56783511
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
SMILESO=C(CCN1C(=O)CCC1=O)N1CCCC(N2CCCCCC2)C1
InChIInChI=1S/C18H29N3O3/c22-16(9-13-21-17(23)7-8-18(21)24)20-12-5-6-15(14-20)19-10-3-1-2-4-11-19/h15H,1-14H2
InChIKeyNOXRICDIIZWLHU-UHFFFAOYSA-N
XLogP1.39
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-oxo-2-(3-pyrrolidin-1-ylazepan-1-yl)ethyl]azocan-2-one
CID 56783393
1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 43416050
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-oxohexanoic acid
CID 63150889
1-(3-pyrrolidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 54876488
1-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3-methylsulfonylpropan-1-one
CID 131912780
1-[3-(azepan-1-yl)piperidin-1-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111538197
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 119580581
1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895414
3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 56803567
1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid
CID 119033231
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 63168015

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione (CID 56783511) is 1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione is O=C(CCN1C(=O)CCC1=O)N1CCCC(N2CCCCCC2)C1.
What is the InChIKey of 1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione?
The InChIKey is NOXRICDIIZWLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c22-16(9-13-21-17(23)7-8-18(21)24)20-12-5-6-15(14-20)19-10-3-1-2-4-11-19/h15H,1-14H2.
What are the key properties of 1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione?
1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione has a molecular weight of 335.45 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(azepan-1-yl)piperidin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 56783511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).