[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone

C25H30N4O3 — CID 66840390

IUPAC[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C2CN(C(=O)c3ccc(N4CCOCC4)cc3)C2)CC1
InChIInChI=1S/C25H30N4O3/c30-24(20-4-2-1-3-5-20)28-12-10-26(11-13-28)23-18-29(19-23)25(31)21-6-8-22(9-7-21)27-14-16-32-17-15-27/h1-9,23H,10-19H2
InChIKeyJFOSERCKEKBIIU-UHFFFAOYSA-N
MW434.54 g/mol
LogP1.81
Rot. Bonds4

About [4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone

[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 66840390) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is [4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
PubChem CID66840390
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C2CN(C(=O)c3ccc(N4CCOCC4)cc3)C2)CC1
InChIInChI=1S/C25H30N4O3/c30-24(20-4-2-1-3-5-20)28-12-10-26(11-13-28)23-18-29(19-23)25(31)21-6-8-22(9-7-21)27-14-16-32-17-15-27/h1-9,23H,10-19H2
InChIKeyJFOSERCKEKBIIU-UHFFFAOYSA-N
XLogP1.81
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone (CID 66840390) is [4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(C2CN(C(=O)c3ccc(N4CCOCC4)cc3)C2)CC1.
What is the InChIKey of [4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is JFOSERCKEKBIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c30-24(20-4-2-1-3-5-20)28-12-10-26(11-13-28)23-18-29(19-23)25(31)21-6-8-22(9-7-21)27-14-16-32-17-15-27/h1-9,23H,10-19H2.
What are the key properties of [4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 434.54 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 66840390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).