1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone

C19H27N3O4 — CID 171148800

IUPAC1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESCC(=O)N1C2CCC1CC(OC1CCN(C(=O)c3ocnc3C)CC1)C2
InChIInChI=1S/C19H27N3O4/c1-12-18(25-11-20-12)19(24)21-7-5-16(6-8-21)26-17-9-14-3-4-15(10-17)22(14)13(2)23/h11,14-17H,3-10H2,1-2H3
InChIKeyLPPVAFVFKJQVCC-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.15
Rot. Bonds3

About 1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone

1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone (PubChem CID 171148800) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone.

Molecular Properties

Compound Name1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone
PubChem CID171148800
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESCC(=O)N1C2CCC1CC(OC1CCN(C(=O)c3ocnc3C)CC1)C2
InChIInChI=1S/C19H27N3O4/c1-12-18(25-11-20-12)19(24)21-7-5-16(6-8-21)26-17-9-14-3-4-15(10-17)22(14)13(2)23/h11,14-17H,3-10H2,1-2H3
InChIKeyLPPVAFVFKJQVCC-UHFFFAOYSA-N
XLogP2.15
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone with MolForge

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride
CID 119518888
(4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 138024608
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 112627373
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 81478651
N-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110116932
(3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 131007255
[(5aS,9aR)-1-methylsulfonyl-3,4,5,5a,6,8,9,9a-octahydro-2H-pyrido[4,3-b]azepin-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110143103
(5aS,9aR)-1-(2-methoxyethyl)-7-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,5a,6,8,9,9a-octahydropyrido[4,3-b]azepin-2-one
CID 110124743
4-benzyl-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 56870441
[4-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25305875
[3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride
CID 119594797
[(1S,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 59361676

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The IUPAC name of 1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone (CID 171148800) is 1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone.
What is the SMILES notation for 1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The canonical SMILES for 1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone is CC(=O)N1C2CCC1CC(OC1CCN(C(=O)c3ocnc3C)CC1)C2.
What is the InChIKey of 1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The InChIKey is LPPVAFVFKJQVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-12-18(25-11-20-12)19(24)21-7-5-16(6-8-21)26-17-9-14-3-4-15(10-17)22(14)13(2)23/h11,14-17H,3-10H2,1-2H3.
What are the key properties of 1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone has a molecular weight of 361.44 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone is sourced from PubChem (CID 171148800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).