(4-cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone

C20H29N3O2 — CID 59218182

IUPAC(4-cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C20H29N3O2/c24-20(23-10-8-22(9-11-23)19-2-1-3-19)18-6-4-17(5-7-18)16-21-12-14-25-15-13-21/h4-7,19H,1-3,8-16H2
InChIKeyABJWJGMTLYSISP-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.83
Rot. Bonds4

About (4-cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone

(4-cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 59218182) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (4-cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID59218182
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(4-cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C20H29N3O2/c24-20(23-10-8-22(9-11-23)19-2-1-3-19)18-6-4-17(5-7-18)16-21-12-14-25-15-13-21/h4-7,19H,1-3,8-16H2
InChIKeyABJWJGMTLYSISP-UHFFFAOYSA-N
XLogP1.83
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of (4-cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone (CID 59218182) is (4-cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone is O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is ABJWJGMTLYSISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20(23-10-8-22(9-11-23)19-2-1-3-19)18-6-4-17(5-7-18)16-21-12-14-25-15-13-21/h4-7,19H,1-3,8-16H2.
What are the key properties of (4-cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone?
(4-cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 343.47 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 59218182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).