2-(4-benzylpiperazin-1-yl)-1-morpholin-4-ylethanone

C17H25N3O2 — CID 1439273

IUPAC2-(4-benzylpiperazin-1-yl)-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C17H25N3O2/c21-17(20-10-12-22-13-11-20)15-19-8-6-18(7-9-19)14-16-4-2-1-3-5-16/h1-5H,6-15H2
InChIKeyMPYDNECKFQRZPR-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.66
Rot. Bonds4

About 2-(4-benzylpiperazin-1-yl)-1-morpholin-4-ylethanone

2-(4-benzylpiperazin-1-yl)-1-morpholin-4-ylethanone (PubChem CID 1439273) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1-morpholin-4-ylethanone
PubChem CID1439273
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-(4-benzylpiperazin-1-yl)-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C17H25N3O2/c21-17(20-10-12-22-13-11-20)15-19-8-6-18(7-9-19)14-16-4-2-1-3-5-16/h1-5H,6-15H2
InChIKeyMPYDNECKFQRZPR-UHFFFAOYSA-N
XLogP0.66
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-morpholin-4-ylethanone (CID 1439273) is 2-(4-benzylpiperazin-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1-morpholin-4-ylethanone is O=C(CN1CCN(Cc2ccccc2)CC1)N1CCOCC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is MPYDNECKFQRZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(20-10-12-22-13-11-20)15-19-8-6-18(7-9-19)14-16-4-2-1-3-5-16/h1-5H,6-15H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1-morpholin-4-ylethanone?
2-(4-benzylpiperazin-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 303.41 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 1439273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).