3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C22H35FN4O — CID 60542887

IUPAC3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCN(C)CCC1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C22H35FN4O/c1-24(2)11-7-19-8-12-25(13-9-19)14-10-22(28)27-17-15-26(16-18-27)21-5-3-20(23)4-6-21/h3-6,19H,7-18H2,1-2H3
InChIKeyBBIMHRFRALMWNO-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.53
Rot. Bonds7

About 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 60542887) has the molecular formula C22H35FN4O and a molecular weight of 390.55 g/mol. Its IUPAC name is 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID60542887
Molecular FormulaC22H35FN4O
Molecular Weight390.55 g/mol
Exact Mass390.28
IUPAC Name3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCN(C)CCC1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C22H35FN4O/c1-24(2)11-7-19-8-12-25(13-9-19)14-10-22(28)27-17-15-26(16-18-27)21-5-3-20(23)4-6-21/h3-6,19H,7-18H2,1-2H3
InChIKeyBBIMHRFRALMWNO-UHFFFAOYSA-N
XLogP2.53
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60500933
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 111442592
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 110839307
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37187519
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 75806353
2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine
CID 19085444
3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 110892137
4-[4-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,4-diazepan-1-yl]benzonitrile
CID 55831676
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 60542887) is 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is CN(C)CCC1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is BBIMHRFRALMWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FN4O/c1-24(2)11-7-19-8-12-25(13-9-19)14-10-22(28)27-17-15-26(16-18-27)21-5-3-20(23)4-6-21/h3-6,19H,7-18H2,1-2H3.
What are the key properties of 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 390.55 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 60542887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).