1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione

C16H31N3O2 — CID 64966679

IUPAC1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C(C)C)N(C(C)CCN(C)C)C1=O
InChIInChI=1S/C16H31N3O2/c1-10(2)13-16(21)19(12(5)8-9-18(6)7)14(11(3)4)15(20)17-13/h10-14H,8-9H2,1-7H3,(H,17,20)
InChIKeySNUQQHYEWARGFZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.33
Rot. Bonds6

About 1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione

1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione (PubChem CID 64966679) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione
PubChem CID64966679
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C(C)C)N(C(C)CCN(C)C)C1=O
InChIInChI=1S/C16H31N3O2/c1-10(2)13-16(21)19(12(5)8-9-18(6)7)14(11(3)4)15(20)17-13/h10-14H,8-9H2,1-7H3,(H,17,20)
InChIKeySNUQQHYEWARGFZ-UHFFFAOYSA-N
XLogP1.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione with MolForge

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Related Compounds

1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64964963
5-butan-2-yl-3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one
CID 83250264
1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64972901
1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64872808
1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64957236
3-cyclopropyl-1-(5-methylhexan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64971527
3-[4-(dimethylamino)butan-2-yl]-2-methylimidazolidin-4-one
CID 83249108
3-butan-2-yl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969105
3-ethyl-1-(4-methoxybutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973083
1-[1-(furan-2-yl)ethyl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64960434
6-ethyl-1-(4-methoxybutan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64973001
1-but-3-enyl-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 113466183

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
The IUPAC name of 1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione (CID 64966679) is 1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione is CC(C)C1NC(=O)C(C(C)C)N(C(C)CCN(C)C)C1=O.
What is the InChIKey of 1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
The InChIKey is SNUQQHYEWARGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-10(2)13-16(21)19(12(5)8-9-18(6)7)14(11(3)4)15(20)17-13/h10-14H,8-9H2,1-7H3,(H,17,20).
What are the key properties of 1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione?
1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione has a molecular weight of 297.44 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64966679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).