3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one

C18H26FN3O2 — CID 100748397

IUPAC3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCN2CC[C@@H](Oc3cccc(F)c3)C2)CC1
InChIInChI=1S/C18H26FN3O2/c1-20-9-11-22(12-10-20)18(23)6-8-21-7-5-17(14-21)24-16-4-2-3-15(19)13-16/h2-4,13,17H,5-12,14H2,1H3/t17-/m1/s1
InChIKeyQGXNEAMJJOKDPS-QGZVFWFLSA-N
MW335.42 g/mol
LogP1.44
Rot. Bonds5

About 3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one

3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 100748397) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID100748397
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCN2CC[C@@H](Oc3cccc(F)c3)C2)CC1
InChIInChI=1S/C18H26FN3O2/c1-20-9-11-22(12-10-20)18(23)6-8-21-7-5-17(14-21)24-16-4-2-3-15(19)13-16/h2-4,13,17H,5-12,14H2,1H3/t17-/m1/s1
InChIKeyQGXNEAMJJOKDPS-QGZVFWFLSA-N
XLogP1.44
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

3-(3-fluorophenoxy)-1-methylazetidine
CID 118403576
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
1-[3-[3-(3-chlorophenoxy)azetidin-1-yl]propanoyl]piperidine-4-carboxylic acid
CID 91840541
1-(4-fluorophenyl)-4-[(3S)-3-(3-methoxyphenoxy)pyrrolidin-1-yl]butan-1-one
CID 95560254
(5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 51592543
2-chloro-1-[3-(3-fluorophenoxy)azetidin-1-yl]ethanone
CID 166415195
[3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110196219
1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone
CID 125165130
3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid
CID 84755659
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid
CID 138037841
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone
CID 91830744

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one (CID 100748397) is 3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)CCN2CC[C@@H](Oc3cccc(F)c3)C2)CC1.
What is the InChIKey of 3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is QGXNEAMJJOKDPS-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-20-9-11-22(12-10-20)18(23)6-8-21-7-5-17(14-21)24-16-4-2-3-15(19)13-16/h2-4,13,17H,5-12,14H2,1H3/t17-/m1/s1.
What are the key properties of 3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one?
3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 335.42 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 100748397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).