3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione

C15H27N3O2 — CID 64964552

IUPAC3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione
SMILESCN1CCCC(N2CCC(=O)NC(C(C)(C)C)C2=O)C1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)13-14(20)18(9-7-12(19)16-13)11-6-5-8-17(4)10-11/h11,13H,5-10H2,1-4H3,(H,16,19)
InChIKeyGIZWUQNVYNEOQX-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.84
Rot. Bonds1

About 3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione

3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione (PubChem CID 64964552) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione
PubChem CID64964552
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione
SMILESCN1CCCC(N2CCC(=O)NC(C(C)(C)C)C2=O)C1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)13-14(20)18(9-7-12(19)16-13)11-6-5-8-17(4)10-11/h11,13H,5-10H2,1-4H3,(H,16,19)
InChIKeyGIZWUQNVYNEOQX-UHFFFAOYSA-N
XLogP0.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-cyclopropyl-1,4-diazepane-2,5-dione
CID 64958485
3-tert-butyl-1-(3-methoxycyclohexyl)-1,4-diazepane-2,5-dione
CID 64882454
3-tert-butyl-1-methyl-1,4-diazepane-2,5-dione
CID 64882259
3-tert-butyl-1-(2,3-dimethylcyclohexyl)-1,4-diazepane-2,5-dione
CID 64959090
3-tert-butyl-1-(2-ethylcyclohexyl)-1,4-diazepane-2,5-dione
CID 64964278
3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one
CID 67986237
3-tert-butyl-1-cyclopentylpiperazine-2,5-dione
CID 64958428
3-tert-butyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane-2,5-dione
CID 64883620
3-tert-butyl-1-[(1,1-dioxothiolan-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64968984
3-tert-butyl-1-(4-methoxybutyl)-1,4-diazepane-2,5-dione
CID 64967515
3-tert-butyl-1-phenyl-1,4-diazepane-2,5-dione
CID 64958740
3-tert-butyl-1-(2,2-dimethylbutyl)-1,4-diazepane-2,5-dione
CID 103465431

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione (CID 64964552) is 3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione is CN1CCCC(N2CCC(=O)NC(C(C)(C)C)C2=O)C1.
What is the InChIKey of 3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione?
The InChIKey is GIZWUQNVYNEOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2,3)13-14(20)18(9-7-12(19)16-13)11-6-5-8-17(4)10-11/h11,13H,5-10H2,1-4H3,(H,16,19).
What are the key properties of 3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione?
3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione has a molecular weight of 281.40 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64964552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).