2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C15H24N4O3 — CID 94544768

IUPAC2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1noc(C2CCN(CC(=O)NC[C@H]3CCCO3)CC2)n1
InChIInChI=1S/C15H24N4O3/c1-11-17-15(22-18-11)12-4-6-19(7-5-12)10-14(20)16-9-13-3-2-8-21-13/h12-13H,2-10H2,1H3,(H,16,20)/t13-/m1/s1
InChIKeyCTGNOXJYYCHJCK-CYBMUJFWSA-N
MW308.38 g/mol
LogP0.85
Rot. Bonds5

About 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 94544768) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID94544768
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1noc(C2CCN(CC(=O)NC[C@H]3CCCO3)CC2)n1
InChIInChI=1S/C15H24N4O3/c1-11-17-15(22-18-11)12-4-6-19(7-5-12)10-14(20)16-9-13-3-2-8-21-13/h12-13H,2-10H2,1H3,(H,16,20)/t13-/m1/s1
InChIKeyCTGNOXJYYCHJCK-CYBMUJFWSA-N
XLogP0.85
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 60570907
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 60568381
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78834128
2-(4-formylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 62655740
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 60504183
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97354684
N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 163344737
2-[4-(difluoromethyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 166601670
2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 129351669
2-[(3R)-3-aminopyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129381630
1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 94498576

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 94544768) is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Cc1noc(C2CCN(CC(=O)NC[C@H]3CCCO3)CC2)n1.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is CTGNOXJYYCHJCK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11-17-15(22-18-11)12-4-6-19(7-5-12)10-14(20)16-9-13-3-2-8-21-13/h12-13H,2-10H2,1H3,(H,16,20)/t13-/m1/s1.
What are the key properties of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 94544768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).