1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione

C17H30N2O2 — CID 64873014

IUPAC1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)CC1C(=O)NC(C(C)C)C(=O)N1CC1CCCC1
InChIInChI=1S/C17H30N2O2/c1-11(2)9-14-16(20)18-15(12(3)4)17(21)19(14)10-13-7-5-6-8-13/h11-15H,5-10H2,1-4H3,(H,18,20)
InChIKeyBYARRLVYFQUDMJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.57
Rot. Bonds5

About 1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione

1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64873014) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64873014
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)CC1C(=O)NC(C(C)C)C(=O)N1CC1CCCC1
InChIInChI=1S/C17H30N2O2/c1-11(2)9-14-16(20)18-15(12(3)4)17(21)19(14)10-13-7-5-6-8-13/h11-15H,5-10H2,1-4H3,(H,18,20)
InChIKeyBYARRLVYFQUDMJ-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874379
6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione
CID 64872821
1-(2-methoxyethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873401
6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 107415616
6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64967164
3-(cyclohexylmethyl)-2-cyclopentyl-5-propan-2-ylimidazolidin-4-one
CID 83247815
1-[(1,1-dioxothiolan-3-yl)methyl]-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64968952
6-ethyl-1-[(2-methylcyclopropyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 113464219
3-(cyclobutylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83243656
1-(cyclopentylmethyl)-3,6-dipropylpiperazine-2,5-dione
CID 64874943
1-(cyclopropylmethyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900957
1-(cyclopentylmethyl)-3,6-diethylpiperazine-2,5-dione
CID 64902210

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64873014) is 1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)CC1C(=O)NC(C(C)C)C(=O)N1CC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is BYARRLVYFQUDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-11(2)9-14-16(20)18-15(12(3)4)17(21)19(14)10-13-7-5-6-8-13/h11-15H,5-10H2,1-4H3,(H,18,20).
What are the key properties of 1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione?
1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64873014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).