1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one

C20H31N3O2 — CID 24791722

IUPAC1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCc1ccc(NC2CCCN(C(=O)CCN3CCOCC3)C2)cc1C
InChIInChI=1S/C20H31N3O2/c1-16-5-6-18(14-17(16)2)21-19-4-3-8-23(15-19)20(24)7-9-22-10-12-25-13-11-22/h5-6,14,19,21H,3-4,7-13,15H2,1-2H3
InChIKeyKKZOWBGTAYLPOX-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.43
Rot. Bonds5

About 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one

1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 24791722) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID24791722
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCc1ccc(NC2CCCN(C(=O)CCN3CCOCC3)C2)cc1C
InChIInChI=1S/C20H31N3O2/c1-16-5-6-18(14-17(16)2)21-19-4-3-8-23(15-19)20(24)7-9-22-10-12-25-13-11-22/h5-6,14,19,21H,3-4,7-13,15H2,1-2H3
InChIKeyKKZOWBGTAYLPOX-UHFFFAOYSA-N
XLogP2.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (CID 24791722) is 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is Cc1ccc(NC2CCCN(C(=O)CCN3CCOCC3)C2)cc1C.
What is the InChIKey of 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is KKZOWBGTAYLPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-5-6-18(14-17(16)2)21-19-4-3-8-23(15-19)20(24)7-9-22-10-12-25-13-11-22/h5-6,14,19,21H,3-4,7-13,15H2,1-2H3.
What are the key properties of 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 345.49 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 24791722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).