1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione

C16H26N2O2 — CID 64959657

IUPAC1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1C1CCCCCC1
InChIInChI=1S/C16H26N2O2/c1-2-13-15(19)17-14(11-9-10-11)16(20)18(13)12-7-5-3-4-6-8-12/h11-14H,2-10H2,1H3,(H,17,19)
InChIKeyDKVCDFFPHCPKNH-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.22
Rot. Bonds3

About 1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione

1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione (PubChem CID 64959657) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
PubChem CID64959657
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1C1CCCCCC1
InChIInChI=1S/C16H26N2O2/c1-2-13-15(19)17-14(11-9-10-11)16(20)18(13)12-7-5-3-4-6-8-12/h11-14H,2-10H2,1H3,(H,17,19)
InChIKeyDKVCDFFPHCPKNH-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3,6-diethylpiperazine-2,5-dione
CID 64958819
1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64960299
1-cycloheptyl-3,6-dicyclopropylpiperazine-2,5-dione
CID 82925459
3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione
CID 79878905
1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64969387
3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione
CID 64887557
1-cyclohexyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64958809
1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione
CID 82937316
1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 82924934
1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64957501
3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64887564
3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64885044

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione (CID 64959657) is 1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione is CCC1C(=O)NC(C2CC2)C(=O)N1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione?
The InChIKey is DKVCDFFPHCPKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-13-15(19)17-14(11-9-10-11)16(20)18(13)12-7-5-3-4-6-8-12/h11-14H,2-10H2,1H3,(H,17,19).
What are the key properties of 1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione?
1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione has a molecular weight of 278.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64959657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).