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

C23H32N4O — CID 53186203

IUPAC3-[2-(diethylamino)-4-pyridinyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCCN(CC)c1cc(CCC(=O)N2CCN(c3ccccc3C)CC2)ccn1
InChIInChI=1S/C23H32N4O/c1-4-25(5-2)22-18-20(12-13-24-22)10-11-23(28)27-16-14-26(15-17-27)21-9-7-6-8-19(21)3/h6-9,12-13,18H,4-5,10-11,14-17H2,1-3H3
InChIKeyQJMGVGHGPHIRRT-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.52
Rot. Bonds7

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

3-[2-(diethylamino)-4-pyridinyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 53186203) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[2-(diethylamino)-4-pyridinyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID53186203
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name3-[2-(diethylamino)-4-pyridinyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCCN(CC)c1cc(CCC(=O)N2CCN(c3ccccc3C)CC2)ccn1
InChIInChI=1S/C23H32N4O/c1-4-25(5-2)22-18-20(12-13-24-22)10-11-23(28)27-16-14-26(15-17-27)21-9-7-6-8-19(21)3/h6-9,12-13,18H,4-5,10-11,14-17H2,1-3H3
InChIKeyQJMGVGHGPHIRRT-UHFFFAOYSA-N
XLogP3.52
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 53186164
3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 53186113
3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 112803742
3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 120612041
3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 62834057
3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 17460018
3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 127122166
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione
CID 121449060
3-[2-(diethylamino)-4-pyridinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]propanamide
CID 53186190
1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione
CID 121449078

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one (CID 53186203) is 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one is CCN(CC)c1cc(CCC(=O)N2CCN(c3ccccc3C)CC2)ccn1.
What is the InChIKey of 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is QJMGVGHGPHIRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-4-25(5-2)22-18-20(12-13-24-22)10-11-23(28)27-16-14-26(15-17-27)21-9-7-6-8-19(21)3/h6-9,12-13,18H,4-5,10-11,14-17H2,1-3H3.
What are the key properties of 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one?
3-[2-(diethylamino)-4-pyridinyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 380.54 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 53186203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).