3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

C23H32N4O2 — CID 53186113

IUPAC3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCN(CC)c1cc(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)ccn1
InChIInChI=1S/C23H32N4O2/c1-4-25(5-2)22-18-19(12-13-24-22)6-11-23(28)27-16-14-26(15-17-27)20-7-9-21(29-3)10-8-20/h7-10,12-13,18H,4-6,11,14-17H2,1-3H3
InChIKeyLLVGCMXLVBPJHL-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.22
Rot. Bonds8

About 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (PubChem CID 53186113) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
PubChem CID53186113
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
SMILESCCN(CC)c1cc(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)ccn1
InChIInChI=1S/C23H32N4O2/c1-4-25(5-2)22-18-19(12-13-24-22)6-11-23(28)27-16-14-26(15-17-27)20-7-9-21(29-3)10-8-20/h7-10,12-13,18H,4-6,11,14-17H2,1-3H3
InChIKeyLLVGCMXLVBPJHL-UHFFFAOYSA-N
XLogP3.22
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 53186164
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one
CID 53186007
3-[2-(diethylamino)-4-pyridinyl]-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 53186183
3-[2-(diethylamino)-4-pyridinyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 53186203
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
5-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-1-one
CID 110297855
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 60556729
3-(4-methoxyphenyl)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 71996669
3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109033107
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 20863627
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113078845
3-(2,6-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 100789580

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one (CID 53186113) is 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is CCN(CC)c1cc(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)ccn1.
What is the InChIKey of 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is LLVGCMXLVBPJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-4-25(5-2)22-18-19(12-13-24-22)6-11-23(28)27-16-14-26(15-17-27)20-7-9-21(29-3)10-8-20/h7-10,12-13,18H,4-6,11,14-17H2,1-3H3.
What are the key properties of 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one?
3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 396.54 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 53186113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).