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

C16H26N4O5 — CID 110139446

IUPACN-[[(3R,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@]1(O)CCN(C(=O)CCc2nnc(C(C)C)o2)C[C@H]1O
InChIInChI=1S/C16H26N4O5/c1-10(2)15-19-18-13(25-15)4-5-14(23)20-7-6-16(24,12(22)8-20)9-17-11(3)21/h10,12,22,24H,4-9H2,1-3H3,(H,17,21)/t12-,16-/m1/s1
InChIKeyIGOCRJHDHGSTFG-MLGOLLRUSA-N
MW354.41 g/mol
LogP-0.41
Rot. Bonds6

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

N-[[(3R,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]methyl]acetamide (PubChem CID 110139446) has the molecular formula C16H26N4O5 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[[(3R,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3R,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]methyl]acetamide
PubChem CID110139446
Molecular FormulaC16H26N4O5
Molecular Weight354.41 g/mol
Exact Mass354.19
IUPAC NameN-[[(3R,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NC[C@]1(O)CCN(C(=O)CCc2nnc(C(C)C)o2)C[C@H]1O
InChIInChI=1S/C16H26N4O5/c1-10(2)15-19-18-13(25-15)4-5-14(23)20-7-6-16(24,12(22)8-20)9-17-11(3)21/h10,12,22,24H,4-9H2,1-3H3,(H,17,21)/t12-,16-/m1/s1
InChIKeyIGOCRJHDHGSTFG-MLGOLLRUSA-N
XLogP-0.41
TPSA128.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(3S,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]pyrrolidin-3-yl]methyl]acetamide
CID 110139606
1-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110156867
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 111578595
N-(2-hydroxypentyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 112295650
N-(2-hydroxy-3-methylpentyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 112296884

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[(3R,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]methyl]acetamide (CID 110139446) is N-[[(3R,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3R,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[(3R,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]methyl]acetamide is CC(=O)NC[C@]1(O)CCN(C(=O)CCc2nnc(C(C)C)o2)C[C@H]1O.
What is the InChIKey of N-[[(3R,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is IGOCRJHDHGSTFG-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H26N4O5/c1-10(2)15-19-18-13(25-15)4-5-14(23)20-7-6-16(24,12(22)8-20)9-17-11(3)21/h10,12,22,24H,4-9H2,1-3H3,(H,17,21)/t12-,16-/m1/s1.
What are the key properties of N-[[(3R,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]methyl]acetamide?
N-[[(3R,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R)-3,4-dihydroxy-1-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 110139446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).