1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one

C23H39FN4O3 — CID 154625987

IUPAC1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C2NOC(C3CCC(F)C(N4CCOC5(CC5)C4)C3)N2)CC1
InChIInChI=1S/C23H39FN4O3/c1-15(2)22(29)27-9-5-16(6-10-27)20-25-21(31-26-20)17-3-4-18(24)19(13-17)28-11-12-30-23(14-28)7-8-23/h15-21,25-26H,3-14H2,1-2H3
InChIKeyKXVHKCXUPWHBDZ-UHFFFAOYSA-N
MW438.59 g/mol
LogP2.03
Rot. Bonds4

About 1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 154625987) has the molecular formula C23H39FN4O3 and a molecular weight of 438.59 g/mol. Its IUPAC name is 1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID154625987
Molecular FormulaC23H39FN4O3
Molecular Weight438.59 g/mol
Exact Mass438.30
IUPAC Name1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(C2NOC(C3CCC(F)C(N4CCOC5(CC5)C4)C3)N2)CC1
InChIInChI=1S/C23H39FN4O3/c1-15(2)22(29)27-9-5-16(6-10-27)20-25-21(31-26-20)17-3-4-18(24)19(13-17)28-11-12-30-23(14-28)7-8-23/h15-21,25-26H,3-14H2,1-2H3
InChIKeyKXVHKCXUPWHBDZ-UHFFFAOYSA-N
XLogP2.03
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[5-[4-(aminomethyl)-3-fluoro-5-(oxetan-3-ylamino)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 177106665
2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]propan-1-one
CID 142573497
(1-methylcyclopropyl) 4-[5-[2-(3,3-difluoropyrrolidin-1-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 154626067
propan-2-yl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 177106669
tert-butyl 4-[5-(2-fluoro-3-morpholin-4-ylcyclohexyl)-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 152794763
2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one
CID 142573600
2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 155455485
cyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone
CID 155066861
2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 169054534
cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone
CID 148941330
1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one
CID 97494594
4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 66661332

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 154625987) is 1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(C2NOC(C3CCC(F)C(N4CCOC5(CC5)C4)C3)N2)CC1.
What is the InChIKey of 1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is KXVHKCXUPWHBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39FN4O3/c1-15(2)22(29)27-9-5-16(6-10-27)20-25-21(31-26-20)17-3-4-18(24)19(13-17)28-11-12-30-23(14-28)7-8-23/h15-21,25-26H,3-14H2,1-2H3.
What are the key properties of 1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 438.59 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 154625987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).