1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione

C16H20N2O3 — CID 64968809

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1C1CCOc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-10(2)15-16(20)17-9-14(19)18(15)12-7-8-21-13-6-4-3-5-11(12)13/h3-6,10,12,15H,7-9H2,1-2H3,(H,17,20)
InChIKeyGSHKFIMINAMKSG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.49
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione

1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64968809) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64968809
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1C1CCOc2ccccc21
InChIInChI=1S/C16H20N2O3/c1-10(2)15-16(20)17-9-14(19)18(15)12-7-8-21-13-6-4-3-5-11(12)13/h3-6,10,12,15H,7-9H2,1-2H3,(H,17,20)
InChIKeyGSHKFIMINAMKSG-UHFFFAOYSA-N
XLogP1.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one
CID 113296325
1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64967274
1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinane-2,4,6-trione
CID 112597991
N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine
CID 91322782
1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine
CID 64953170
1-(2-methylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64969338
(3E,6R)-3-(aminomethylidene)-1-(3,4-dihydro-2H-chromen-4-yl)-6-methylpiperidin-2-one
CID 70819952
methyl 1-(3,4-dihydro-2H-chromen-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692790
1-(3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-one
CID 62365917
5-methyl-3,5-dihydro-2H-1-benzoxepin-4-one
CID 84655541
3a,4,5,10b-tetrahydro-3H-[1]benzoxepino[4,5-d][1,3]oxazol-2-one
CID 70394255
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione (CID 64968809) is 1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NCC(=O)N1C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is GSHKFIMINAMKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)15-16(20)17-9-14(19)18(15)12-7-8-21-13-6-4-3-5-11(12)13/h3-6,10,12,15H,7-9H2,1-2H3,(H,17,20).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione?
1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64968809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).