1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione

C16H26N2O2 — CID 64885387

IUPAC1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCCCN1C(=O)C(C)(C2CC2)NC(=O)C1(C)C1CC1
InChIInChI=1S/C16H26N2O2/c1-4-5-10-18-14(20)15(2,11-6-7-11)17-13(19)16(18,3)12-8-9-12/h11-12H,4-10H2,1-3H3,(H,17,19)
InChIKeyPOSBEESJKSSIOA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.08
Rot. Bonds5

About 1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione

1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64885387) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione
PubChem CID64885387
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCCCN1C(=O)C(C)(C2CC2)NC(=O)C1(C)C1CC1
InChIInChI=1S/C16H26N2O2/c1-4-5-10-18-14(20)15(2,11-6-7-11)17-13(19)16(18,3)12-8-9-12/h11-12H,4-10H2,1-3H3,(H,17,19)
InChIKeyPOSBEESJKSSIOA-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-6,6-diethyl-3-methyl-1-pentylpiperazine-2,5-dione
CID 64885577
3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64885771
6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione
CID 81110148
3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888901
8-cyclopropyl-9-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 81113254
6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 104650386
6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione
CID 104650419
1-butyl-3-cyclopropyl-3-methyl-6-propylpiperazine-2,5-dione
CID 64887854
3-cyclopropyl-6,6-diethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64885576
3-cyclopropyl-3,6,6-trimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64885382
1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64874522
3-cyclopropyl-1-ethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
CID 64886536

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione (CID 64885387) is 1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione is CCCCN1C(=O)C(C)(C2CC2)NC(=O)C1(C)C1CC1.
What is the InChIKey of 1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is POSBEESJKSSIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-10-18-14(20)15(2,11-6-7-11)17-13(19)16(18,3)12-8-9-12/h11-12H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione?
1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 278.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64885387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).