2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

C13H26N2O2 — CID 115186732

IUPAC2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILESCCC(CO)C(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C13H26N2O2/c1-3-12(10-16)13(17)14-7-4-11-5-8-15(2)9-6-11/h11-12,16H,3-10H2,1-2H3,(H,14,17)
InChIKeyIQTWIOAGPJXWNY-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.85
Rot. Bonds6

About 2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (PubChem CID 115186732) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
PubChem CID115186732
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILESCCC(CO)C(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C13H26N2O2/c1-3-12(10-16)13(17)14-7-4-11-5-8-15(2)9-6-11/h11-12,16H,3-10H2,1-2H3,(H,14,17)
InChIKeyIQTWIOAGPJXWNY-UHFFFAOYSA-N
XLogP0.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115180122
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894
1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 113231664
2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoic acid
CID 114515260
2-[2-(1-methylpiperidin-4-yl)ethylamino]butanamide
CID 114515518
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoacetate
CID 114516531
2-acetamido-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-sulfanylpropanamide
CID 107769949
(2R)-2-(4-methoxyphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 99971602
3-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515725
N-(2-cyclopentylethyl)-2-(methylaminomethyl)butanamide
CID 115188971

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The IUPAC name of 2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (CID 115186732) is 2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is CCC(CO)C(=O)NCCC1CCN(C)CC1.
What is the InChIKey of 2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The InChIKey is IQTWIOAGPJXWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-12(10-16)13(17)14-7-4-11-5-8-15(2)9-6-11/h11-12,16H,3-10H2,1-2H3,(H,14,17).
What are the key properties of 2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide has a molecular weight of 242.36 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is sourced from PubChem (CID 115186732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).