6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione

C16H28N2O2 — CID 107415616

IUPAC6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1CC1CCC(C)C1
InChIInChI=1S/C16H28N2O2/c1-5-13-15(19)17-14(10(2)3)16(20)18(13)9-12-7-6-11(4)8-12/h10-14H,5-9H2,1-4H3,(H,17,19)
InChIKeyOGELIUVGQDGUMY-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.18
Rot. Bonds4

About 6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione

6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 107415616) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
PubChem CID107415616
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1CC1CCC(C)C1
InChIInChI=1S/C16H28N2O2/c1-5-13-15(19)17-14(10(2)3)16(20)18(13)9-12-7-6-11(4)8-12/h10-14H,5-9H2,1-4H3,(H,17,19)
InChIKeyOGELIUVGQDGUMY-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione (CID 107415616) is 6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1CC1CCC(C)C1.
What is the InChIKey of 6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is OGELIUVGQDGUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-13-15(19)17-14(10(2)3)16(20)18(13)9-12-7-6-11(4)8-12/h10-14H,5-9H2,1-4H3,(H,17,19).
What are the key properties of 6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione?
6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 107415616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).