3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide

C23H31FN4O4 — CID 71474351

IUPAC3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide
SMILESCOCc1noc(N2CCC([C@H]3C[C@H]3COCc3ccc(C(=O)N(C)C)cc3F)CC2)n1
InChIInChI=1S/C23H31FN4O4/c1-27(2)22(29)16-4-5-17(20(24)11-16)12-31-13-18-10-19(18)15-6-8-28(9-7-15)23-25-21(14-30-3)26-32-23/h4-5,11,15,18-19H,6-10,12-14H2,1-3H3/t18-,19+/m0/s1
InChIKeyMYNRJALKKBMODC-RBUKOAKNSA-N
MW446.52 g/mol
LogP3.13
Rot. Bonds9

About 3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide

3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide (PubChem CID 71474351) has the molecular formula C23H31FN4O4 and a molecular weight of 446.52 g/mol. Its IUPAC name is 3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide
PubChem CID71474351
Molecular FormulaC23H31FN4O4
Molecular Weight446.52 g/mol
Exact Mass446.23
IUPAC Name3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide
SMILESCOCc1noc(N2CCC([C@H]3C[C@H]3COCc3ccc(C(=O)N(C)C)cc3F)CC2)n1
InChIInChI=1S/C23H31FN4O4/c1-27(2)22(29)16-4-5-17(20(24)11-16)12-31-13-18-10-19(18)15-6-8-28(9-7-15)23-25-21(14-30-3)26-32-23/h4-5,11,15,18-19H,6-10,12-14H2,1-3H3/t18-,19+/m0/s1
InChIKeyMYNRJALKKBMODC-RBUKOAKNSA-N
XLogP3.13
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

methyl 4-(5-{[methyl(tetrahydro-2H-pyran-2-ylmethyl)amino]methyl}-1,2,4-oxadiazol-3-yl)benzoate
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CID 16190538
1-[4-[[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
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1-(4-Fluorobenzoyl)-4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-YL]methyl}piperazine
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1-Cyclopropanecarbonyl-4-{[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-YL]methyl}piperazine
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4-{4-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl}morpholine
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CID 50828656
1-{4-[3-(3-Fluorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl}-4-methylpiperidine
CID 50828702
{4-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-YL]phenyl}(4-methylpiperidino)methanone
CID 50828722
1,3-Dihydro-2-benzofuran-5-yl-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72147126
{4-[5-(3-Fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidino}(4-isopropylphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide (CID 71474351) is 3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide is COCc1noc(N2CCC([C@H]3C[C@H]3COCc3ccc(C(=O)N(C)C)cc3F)CC2)n1.
What is the InChIKey of 3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide?
The InChIKey is MYNRJALKKBMODC-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H31FN4O4/c1-27(2)22(29)16-4-5-17(20(24)11-16)12-31-13-18-10-19(18)15-6-8-28(9-7-15)23-25-21(14-30-3)26-32-23/h4-5,11,15,18-19H,6-10,12-14H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of 3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide?
3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide has a molecular weight of 446.52 g/mol, XLogP of 3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[(1R,2R)-2-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropyl]methoxymethyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 71474351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).