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

C22H29FN4O — CID 53186164

IUPAC3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCCN(CC)c1cc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)ccn1
InChIInChI=1S/C22H29FN4O/c1-3-25(4-2)21-17-18(11-12-24-21)5-10-22(28)27-15-13-26(14-16-27)20-8-6-19(23)7-9-20/h6-9,11-12,17H,3-5,10,13-16H2,1-2H3
InChIKeyAJSPHCOLMDTQKS-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.35
Rot. Bonds7

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

3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 53186164) has the molecular formula C22H29FN4O and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID53186164
Molecular FormulaC22H29FN4O
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC Name3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCCN(CC)c1cc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)ccn1
InChIInChI=1S/C22H29FN4O/c1-3-25(4-2)21-17-18(11-12-24-21)5-10-22(28)27-15-13-26(14-16-27)20-8-6-19(23)7-9-20/h6-9,11-12,17H,3-5,10,13-16H2,1-2H3
InChIKeyAJSPHCOLMDTQKS-UHFFFAOYSA-N
XLogP3.35
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 53186113
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
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113078845
1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one
CID 53186207
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one
CID 110390110

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 53186164) is 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is CCN(CC)c1cc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)ccn1.
What is the InChIKey of 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is AJSPHCOLMDTQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O/c1-3-25(4-2)21-17-18(11-12-24-21)5-10-22(28)27-15-13-26(14-16-27)20-8-6-19(23)7-9-20/h6-9,11-12,17H,3-5,10,13-16H2,1-2H3.
What are the key properties of 3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
3-[2-(diethylamino)-4-pyridinyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 384.50 g/mol, XLogP of 3.35, 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-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 53186164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).