N-[3-hydroxy-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide

C16H23N3O4 — CID 56760604

IUPACN-[3-hydroxy-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(CO)C(=O)N1CCC(O)(c2ccc(C)cn2)CC1
InChIInChI=1S/C16H23N3O4/c1-11-3-4-14(17-9-11)16(23)5-7-19(8-6-16)15(22)13(10-20)18-12(2)21/h3-4,9,13,20,23H,5-8,10H2,1-2H3,(H,18,21)
InChIKeyMPTDYBXOICOVKN-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.30
Rot. Bonds4

About N-[3-hydroxy-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide

N-[3-hydroxy-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 56760604) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[3-hydroxy-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID56760604
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-[3-hydroxy-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(CO)C(=O)N1CCC(O)(c2ccc(C)cn2)CC1
InChIInChI=1S/C16H23N3O4/c1-11-3-4-14(17-9-11)16(23)5-7-19(8-6-16)15(22)13(10-20)18-12(2)21/h3-4,9,13,20,23H,5-8,10H2,1-2H3,(H,18,21)
InChIKeyMPTDYBXOICOVKN-UHFFFAOYSA-N
XLogP-0.30
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[3-hydroxy-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide (CID 56760604) is N-[3-hydroxy-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[3-hydroxy-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[3-hydroxy-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)NC(CO)C(=O)N1CCC(O)(c2ccc(C)cn2)CC1.
What is the InChIKey of N-[3-hydroxy-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is MPTDYBXOICOVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-11-3-4-14(17-9-11)16(23)5-7-19(8-6-16)15(22)13(10-20)18-12(2)21/h3-4,9,13,20,23H,5-8,10H2,1-2H3,(H,18,21).
What are the key properties of N-[3-hydroxy-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide?
N-[3-hydroxy-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 321.38 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 56760604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).