1-(3,3-diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione

C24H28N2O3 — CID 16658886

IUPAC1-(3,3-diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(CC2CCCO2)C(=O)CN1CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28N2O3/c27-23-18-26(16-21-12-7-15-29-21)24(28)17-25(23)14-13-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21-22H,7,12-18H2
InChIKeyYCZYEUHLVWJNNK-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.06
Rot. Bonds7

About 1-(3,3-diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione

1-(3,3-diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione (PubChem CID 16658886) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione
PubChem CID16658886
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-(3,3-diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(CC2CCCO2)C(=O)CN1CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28N2O3/c27-23-18-26(16-21-12-7-15-29-21)24(28)17-25(23)14-13-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21-22H,7,12-18H2
InChIKeyYCZYEUHLVWJNNK-UHFFFAOYSA-N
XLogP3.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 3860526
2-Morpholin-4-yl-1-(1-phenyl-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethanone
CID 6603470
N-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 16658884
trimer I
CID 11456556
3-(4-morpholinylacetyl)-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 647770
N-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 16658829
N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 16658888
1-(3,3-Diphenyl-propyl)-4-(2-morpholin-4-yl-ethyl)-piperazine-2,5-dione
CID 44399845
2-Morpholin-4-yl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 45803768
N-(oxolan-2-ylmethyl)-2-[4-(2-phenylethyl)piperidin-1-yl]acetamide
CID 45862368
(1-{[2-(2,2-Diphenylethyl)-4-morpholinyl]carbonyl}cyclopropyl)amine
CID 56880182
oxolan-2-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 5875673

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 1-(3,3-diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione (CID 16658886) is 1-(3,3-diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3,3-diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione is O=C1CN(CC2CCCO2)C(=O)CN1CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is YCZYEUHLVWJNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-23-18-26(16-21-12-7-15-29-21)24(28)17-25(23)14-13-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21-22H,7,12-18H2.
What are the key properties of 1-(3,3-diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione?
1-(3,3-diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 392.50 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 16658886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).