2-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylethan-1-one

C27H30N2O2 — CID 24825334

IUPAC2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylethanone
SMILESC1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)C4=CC=CC=C4
InChIInChI=1S/C27H30N2O2/c30-26(23-10-4-1-5-11-23)22-29-18-16-28(17-19-29)20-21-31-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,27H,16-22H2
InChIKeyKHBBVPNKEBAUQS-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.50
Rot. Bonds9

About 2-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylethan-1-one

2-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylethan-1-one (PubChem CID 24825334) has the molecular formula C27H30N2O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylethan-1-one
PubChem CID24825334
Molecular FormulaC27H30N2O2
Molecular Weight414.50 g/mol
Exact Mass414.23
IUPAC Name2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylethanone
SMILESC1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)C4=CC=CC=C4
InChIInChI=1S/C27H30N2O2/c30-26(23-10-4-1-5-11-23)22-29-18-16-28(17-19-29)20-21-31-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,27H,16-22H2
InChIKeyKHBBVPNKEBAUQS-UHFFFAOYSA-N
XLogP4.50
TPSA32.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity495

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ebastine
CID 3191
Eprazinone
CID 3245
Eprazinone Hydrochloride
CID 73356
3-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylpropan-1-one
CID 10693838
3-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-1-phenylpropan-1-one
CID 12017337
1-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-3-phenylpropan-2-one
CID 20443023
2-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-1-phenylethan-1-one
CID 20443040
Elucaine
CID 32331
1-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-3-phenylpropan-2-one
CID 24825329
4-[4-(Benzhydryloxy)piperidino]butyl benzoate
CID 10275242
4-[4-(Benzhydryloxy)piperidino]butyl 4-fluorobenzoate
CID 10204915
2-[4-(2-Benzhydryloxy-ethyl)-piperazin-1-ylmethyl]-cyclopentanone
CID 18740039

Frequently Asked Questions

What is the IUPAC name of 2-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylethan-1-one?
The IUPAC name of 2-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylethan-1-one (CID 24825334) is 2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylethan-1-one?
The canonical SMILES for 2-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylethan-1-one is C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)C4=CC=CC=C4.
What is the InChIKey of 2-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylethan-1-one?
The InChIKey is KHBBVPNKEBAUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c30-26(23-10-4-1-5-11-23)22-29-18-16-28(17-19-29)20-21-31-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,27H,16-22H2.
What are the key properties of 2-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylethan-1-one?
2-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylethan-1-one has a molecular weight of 414.50 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-{4-[2-(Diphenylmethoxy)ethyl]piperazin-1-yl}-1-phenylethan-1-one is sourced from PubChem (CID 24825334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).