N-[[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]methyl]acetamide

C13H26N2O2 — CID 145137516

IUPACN-[[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(CC(C)(C)CO)CC1
InChIInChI=1S/C13H26N2O2/c1-11(17)14-8-12-4-6-15(7-5-12)9-13(2,3)10-16/h12,16H,4-10H2,1-3H3,(H,14,17)
InChIKeyXIEIGDNFOCQBIX-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.85
Rot. Bonds5

About N-[[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]methyl]acetamide

N-[[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]methyl]acetamide (PubChem CID 145137516) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]methyl]acetamide
PubChem CID145137516
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(CC(C)(C)CO)CC1
InChIInChI=1S/C13H26N2O2/c1-11(17)14-8-12-4-6-15(7-5-12)9-13(2,3)10-16/h12,16H,4-10H2,1-3H3,(H,14,17)
InChIKeyXIEIGDNFOCQBIX-UHFFFAOYSA-N
XLogP0.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]methyl]acetamide (CID 145137516) is N-[[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(CC(C)(C)CO)CC1.
What is the InChIKey of N-[[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is XIEIGDNFOCQBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(17)14-8-12-4-6-15(7-5-12)9-13(2,3)10-16/h12,16H,4-10H2,1-3H3,(H,14,17).
What are the key properties of N-[[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 242.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 145137516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).