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

C23H29N3O2 — CID 644491

IUPAC2-(4-benzhydrylpiperazin-1-yl)-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C23H29N3O2/c27-22(25-15-17-28-18-16-25)19-24-11-13-26(14-12-24)23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,23H,11-19H2
InChIKeyHTPDRBCYDYGPCE-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.25
Rot. Bonds5

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

2-(4-benzhydrylpiperazin-1-yl)-1-morpholin-4-ylethanone (PubChem CID 644491) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-1-morpholin-4-ylethanone
PubChem CID644491
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCOCC1
InChIInChI=1S/C23H29N3O2/c27-22(25-15-17-28-18-16-25)19-24-11-13-26(14-12-24)23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,23H,11-19H2
InChIKeyHTPDRBCYDYGPCE-UHFFFAOYSA-N
XLogP2.25
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzhydrylpiperazin-1-yl)-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1-morpholin-4-ylethanone (CID 644491) is 2-(4-benzhydrylpiperazin-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-1-morpholin-4-ylethanone is O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCOCC1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is HTPDRBCYDYGPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-22(25-15-17-28-18-16-25)19-24-11-13-26(14-12-24)23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,23H,11-19H2.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-1-morpholin-4-ylethanone?
2-(4-benzhydrylpiperazin-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 379.50 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 644491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).