5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole

C22H34N4O — CID 171912123

IUPAC5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOC(CN2CCC(N3CCN(Cc4ccccc4)CC3)CC2)C1
InChIInChI=1S/C22H34N4O/c1-2-20-16-22(27-23-20)18-24-10-8-21(9-11-24)26-14-12-25(13-15-26)17-19-6-4-3-5-7-19/h3-7,21-22H,2,8-18H2,1H3
InChIKeyCGZAFHJGFWIOEV-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.82
Rot. Bonds6

About 5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole

5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole (PubChem CID 171912123) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole
PubChem CID171912123
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1=NOC(CN2CCC(N3CCN(Cc4ccccc4)CC3)CC2)C1
InChIInChI=1S/C22H34N4O/c1-2-20-16-22(27-23-20)18-24-10-8-21(9-11-24)26-14-12-25(13-15-26)17-19-6-4-3-5-7-19/h3-7,21-22H,2,8-18H2,1H3
InChIKeyCGZAFHJGFWIOEV-UHFFFAOYSA-N
XLogP2.82
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole (CID 171912123) is 5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole is CCC1=NOC(CN2CCC(N3CCN(Cc4ccccc4)CC3)CC2)C1.
What is the InChIKey of 5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is CGZAFHJGFWIOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-2-20-16-22(27-23-20)18-24-10-8-21(9-11-24)26-14-12-25(13-15-26)17-19-6-4-3-5-7-19/h3-7,21-22H,2,8-18H2,1H3.
What are the key properties of 5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole?
5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 370.54 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 171912123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).