N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide

C14H28N2O2 — CID 111106203

IUPACN-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCN(CC(O)CC)C1
InChIInChI=1S/C14H28N2O2/c1-3-6-14(18)15-9-12-7-5-8-16(10-12)11-13(17)4-2/h12-13,17H,3-11H2,1-2H3,(H,15,18)
InChIKeyPQFFDHFIOZSNCA-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.39
Rot. Bonds7

About N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide

N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide (PubChem CID 111106203) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide
PubChem CID111106203
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NCC1CCCN(CC(O)CC)C1
InChIInChI=1S/C14H28N2O2/c1-3-6-14(18)15-9-12-7-5-8-16(10-12)11-13(17)4-2/h12-13,17H,3-11H2,1-2H3,(H,15,18)
InChIKeyPQFFDHFIOZSNCA-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-[(2R)-2-hydroxybutyl]piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 95624997
2-cyclopentyl-N-[(1-ethylpiperidin-3-yl)methyl]acetamide
CID 75418465
N-[[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]butanamide
CID 71934329
N-[[1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 111106202
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
N-[[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]methyl]butanamide
CID 119761645
N-[[(3R)-1-[(2R)-2-phenylbutanoyl]piperidin-3-yl]methyl]butanamide
CID 95158748
3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide
CID 82109941
5-[3-[(butanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183261
[(3R)-1-[(2R)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]methylurea
CID 94176749
N-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-3-yl]methyl]acetamide
CID 110908283
1-(3-ethylpyrrolidin-1-yl)butan-2-ol
CID 115688740

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide (CID 111106203) is N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide is CCCC(=O)NCC1CCCN(CC(O)CC)C1.
What is the InChIKey of N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide?
The InChIKey is PQFFDHFIOZSNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-6-14(18)15-9-12-7-5-8-16(10-12)11-13(17)4-2/h12-13,17H,3-11H2,1-2H3,(H,15,18).
What are the key properties of N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide?
N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide has a molecular weight of 256.39 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 111106203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).