N-[[1-[6-(1-hydroxyethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide

C15H23N3O2 — CID 72874453

IUPACN-[[1-[6-(1-hydroxyethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cccc(C(C)O)n2)CC1
InChIInChI=1S/C15H23N3O2/c1-11(19)14-4-3-5-15(17-14)18-8-6-13(7-9-18)10-16-12(2)20/h3-5,11,13,19H,6-10H2,1-2H3,(H,16,20)
InChIKeyMSHKKVNLFZBXSV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.49
Rot. Bonds4

About N-[[1-[6-(1-hydroxyethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide

N-[[1-[6-(1-hydroxyethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide (PubChem CID 72874453) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[1-[6-(1-hydroxyethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[6-(1-hydroxyethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
PubChem CID72874453
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[[1-[6-(1-hydroxyethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cccc(C(C)O)n2)CC1
InChIInChI=1S/C15H23N3O2/c1-11(19)14-4-3-5-15(17-14)18-8-6-13(7-9-18)10-16-12(2)20/h3-5,11,13,19H,6-10H2,1-2H3,(H,16,20)
InChIKeyMSHKKVNLFZBXSV-UHFFFAOYSA-N
XLogP1.49
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-(1-hydroxyethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[6-(1-hydroxyethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide (CID 72874453) is N-[[1-[6-(1-hydroxyethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[6-(1-hydroxyethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[6-(1-hydroxyethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2cccc(C(C)O)n2)CC1.
What is the InChIKey of N-[[1-[6-(1-hydroxyethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is MSHKKVNLFZBXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(19)14-4-3-5-15(17-14)18-8-6-13(7-9-18)10-16-12(2)20/h3-5,11,13,19H,6-10H2,1-2H3,(H,16,20).
What are the key properties of N-[[1-[6-(1-hydroxyethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[6-(1-hydroxyethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-(1-hydroxyethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 72874453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).