3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione

C18H25N3O3 — CID 67472020

IUPAC3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione
SMILESCCCC/C1=N/C/C=C\C=C(\C)CC(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C18H25N3O3/c1-3-4-8-15-19-11-6-5-7-13(2)12-17(23)21(15)14-9-10-16(22)20-18(14)24/h5-7,14H,3-4,8-12H2,1-2H3,(H,20,22,24)/b6-5-,13-7-,19-15-
InChIKeyHZSOMAIQMPDGDV-YWXXNKLFSA-N
MW331.42 g/mol
LogP2.12
Rot. Bonds4

About 3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione

3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione (PubChem CID 67472020) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione
PubChem CID67472020
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione
SMILESCCCC/C1=N/C/C=C\C=C(\C)CC(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C18H25N3O3/c1-3-4-8-15-19-11-6-5-7-13(2)12-17(23)21(15)14-9-10-16(22)20-18(14)24/h5-7,14H,3-4,8-12H2,1-2H3,(H,20,22,24)/b6-5-,13-7-,19-15-
InChIKeyHZSOMAIQMPDGDV-YWXXNKLFSA-N
XLogP2.12
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione
CID 177010708
5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 157474778
4-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 154670467
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione
CID 129170693
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 139075948
2-(2,6-dioxopiperidin-3-yl)-4-undecylisoindole-1,3-dione
CID 158773174
3-(5-methyl-1-oxo-3-sulfanylidene-4,4a,5,6-tetrahydrocyclohepta[c]pyridin-2-yl)piperidine-2,6-dione
CID 123685643
3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione
CID 162504449
(3R)-3-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 124564806
(3S)-3-(2,5,8a-trimethyl-4-oxo-4aH-quinazolin-3-yl)piperidine-2,6-dione
CID 129170692
3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
CID 167471509

Frequently Asked Questions

What is the IUPAC name of 3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione (CID 67472020) is 3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione is CCCC/C1=N/C/C=C\C=C(\C)CC(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of 3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione?
The InChIKey is HZSOMAIQMPDGDV-YWXXNKLFSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-4-8-15-19-11-6-5-7-13(2)12-17(23)21(15)14-9-10-16(22)20-18(14)24/h5-7,14H,3-4,8-12H2,1-2H3,(H,20,22,24)/b6-5-,13-7-,19-15-.
What are the key properties of 3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione?
3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione has a molecular weight of 331.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 67472020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).