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

C17H25N3O2 — CID 847672

IUPAC(4-methylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1
InChIInChI=1S/C17H25N3O2/c1-18-6-8-20(9-7-18)17(21)16-4-2-15(3-5-16)14-19-10-12-22-13-11-19/h2-5H,6-14H2,1H3
InChIKeyLWBZVRUFDRCWEP-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.91
Rot. Bonds3

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

(4-methylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 847672) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID847672
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(4-methylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1
InChIInChI=1S/C17H25N3O2/c1-18-6-8-20(9-7-18)17(21)16-4-2-15(3-5-16)14-19-10-12-22-13-11-19/h2-5H,6-14H2,1H3
InChIKeyLWBZVRUFDRCWEP-UHFFFAOYSA-N
XLogP0.91
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bavisant
CID 16061509
1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
N,N'-dibenzoylpiperazine
CID 80185
Benzamide, 4-(1,1-dimethylethyl)-N-(2-(4-morpholinyl)ethyl)-
CID 690446
N-Benzoylmorpholine
CID 15114
Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
CID 116119
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide hydrochloride
CID 10019926
N-{2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl}-N-methylbenzamide hydrochloride
CID 14553604
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide hydrochloride
CID 14783892
acs.jmedchem.1c00409_ST.162
CID 88598251
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone (CID 847672) is (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone is CN1CCN(C(=O)c2ccc(CN3CCOCC3)cc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is LWBZVRUFDRCWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-18-6-8-20(9-7-18)17(21)16-4-2-15(3-5-16)14-19-10-12-22-13-11-19/h2-5H,6-14H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone?
(4-methylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 303.41 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 847672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).