3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C18H26FN3O2 — CID 110892137

IUPAC3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN(CCO)C1CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3O2/c19-15-1-3-16(4-2-15)21-9-11-22(12-10-21)18(24)7-8-20(13-14-23)17-5-6-17/h1-4,17,23H,5-14H2
InChIKeyNNVYEGCYVPXZSX-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.32
Rot. Bonds7

About 3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 110892137) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID110892137
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN(CCO)C1CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3O2/c19-15-1-3-16(4-2-15)21-9-11-22(12-10-21)18(24)7-8-20(13-14-23)17-5-6-17/h1-4,17,23H,5-14H2
InChIKeyNNVYEGCYVPXZSX-UHFFFAOYSA-N
XLogP1.32
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-one
CID 110839307
2-[cyclopropyl-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 84561922
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
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]propan-1-one
CID 3659016
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanenitrile
CID 82121619
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
3-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 60542887
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide
CID 108514106

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 110892137) is 3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is O=C(CCN(CCO)C1CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is NNVYEGCYVPXZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c19-15-1-3-16(4-2-15)21-9-11-22(12-10-21)18(24)7-8-20(13-14-23)17-5-6-17/h1-4,17,23H,5-14H2.
What are the key properties of 3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 335.42 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-hydroxyethyl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110892137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).