[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone

C19H25FN2O3 — CID 95321275

IUPAC[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(N1CCN(C[C@@H]2COCCO2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN2O3/c20-16-3-1-15(2-4-16)19(5-6-19)18(23)22-9-7-21(8-10-22)13-17-14-24-11-12-25-17/h1-4,17H,5-14H2/t17-/m1/s1
InChIKeyWXGZUSNBOGRWIX-QGZVFWFLSA-N
MW348.42 g/mol
LogP1.42
Rot. Bonds4

About [4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone

[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone (PubChem CID 95321275) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is [4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
PubChem CID95321275
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
SMILESO=C(N1CCN(C[C@@H]2COCCO2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN2O3/c20-16-3-1-15(2-4-16)19(5-6-19)18(23)22-9-7-21(8-10-22)13-17-14-24-11-12-25-17/h1-4,17H,5-14H2/t17-/m1/s1
InChIKeyWXGZUSNBOGRWIX-QGZVFWFLSA-N
XLogP1.42
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone with MolForge

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Related Compounds

[1-(4-fluorophenyl)cyclopropyl]-[(2S)-2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 97127856
[1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone
CID 134160566
[1-(4-fluorophenyl)cyclopropyl]-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95341434
2-[4-[4-(4-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248615
2-[(2S)-4-[1-(4-fluorophenyl)cyclobutanecarbonyl]morpholin-2-yl]acetic acid
CID 124702479
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-[1-(4-fluorophenyl)cyclopropyl]methanone
CID 71785139
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
[4-(1,4-dioxan-2-ylmethyl)-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 134706882
2-[[4-[1-(4-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120607070
[1-(4-fluorophenyl)cyclopropyl]-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500934
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119240020
[4-(1,4-dioxan-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 167764808

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of [4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone (CID 95321275) is [4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for [4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone is O=C(N1CCN(C[C@@H]2COCCO2)CC1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone?
The InChIKey is WXGZUSNBOGRWIX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-16-3-1-15(2-4-16)19(5-6-19)18(23)22-9-7-21(8-10-22)13-17-14-24-11-12-25-17/h1-4,17H,5-14H2/t17-/m1/s1.
What are the key properties of [4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone?
[4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone has a molecular weight of 348.42 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 95321275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).