1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione

C17H30N2O2 — CID 64901759

IUPAC1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)C)N(CC2CCCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-5-17(4)16(21)19(11-13-9-7-6-8-10-13)14(12(2)3)15(20)18-17/h12-14H,5-11H2,1-4H3,(H,18,20)
InChIKeyNTENZTPDNWKCTI-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds4

About 1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione

1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64901759) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64901759
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C(C)C)N(CC2CCCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-5-17(4)16(21)19(11-13-9-7-6-8-10-13)14(12(2)3)15(20)18-17/h12-14H,5-11H2,1-4H3,(H,18,20)
InChIKeyNTENZTPDNWKCTI-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64960278
4-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64960350
1-(cyclobutylmethyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64960376
3-ethyl-3-methyl-1-(3-methylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901390
1-(2,2-dimethylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964468
1-(cyclobutylmethyl)-3-ethyl-3-methyl-6-propylpiperazine-2,5-dione
CID 65460685
3-ethyl-3-methyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963630
1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 114944478
3-ethyl-3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968189
3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 115327146
1-(1-cyclopropylethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64960516
1-(dicyclopropylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64965656

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 64901759) is 1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C(C)C)N(CC2CCCCC2)C1=O.
What is the InChIKey of 1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is NTENZTPDNWKCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-17(4)16(21)19(11-13-9-7-6-8-10-13)14(12(2)3)15(20)18-17/h12-14H,5-11H2,1-4H3,(H,18,20).
What are the key properties of 1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64901759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).