N-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide

C13H26N2O3 — CID 112542070

IUPACN-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide
SMILESCCC(O)CC1CC(NC(C)=O)CN(CCO)C1
InChIInChI=1S/C13H26N2O3/c1-3-13(18)7-11-6-12(14-10(2)17)9-15(8-11)4-5-16/h11-13,16,18H,3-9H2,1-2H3,(H,14,17)
InChIKeyIPRBOUPJYRGTDS-UHFFFAOYSA-N
MW258.36 g/mol
LogP-0.03
Rot. Bonds6

About N-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide

N-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide (PubChem CID 112542070) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide
PubChem CID112542070
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide
SMILESCCC(O)CC1CC(NC(C)=O)CN(CCO)C1
InChIInChI=1S/C13H26N2O3/c1-3-13(18)7-11-6-12(14-10(2)17)9-15(8-11)4-5-16/h11-13,16,18H,3-9H2,1-2H3,(H,14,17)
InChIKeyIPRBOUPJYRGTDS-UHFFFAOYSA-N
XLogP-0.03
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide
CID 112542064
1-[5-(ethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83990235
N-[1-(cyanomethyl)-5-(2-hydroxybutyl)piperidin-3-yl]-2-methylpropanamide
CID 112542931
N-[5-(2,2-dimethylpropyl)-1-propylpiperidin-3-yl]acetamide
CID 112541700
1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996881
1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83996988
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2-hydroxybutyl)piperidin-3-yl]carbamate
CID 112544838
1-cyclopropyl-2-[5-(ethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
CID 83990741
2-[3-(2-hydroxybutyl)-5-(2-methylpropylamino)piperidin-1-yl]acetamide
CID 83994764
1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol
CID 83998265
N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]acetamide
CID 112541972
methyl N-[5-(2-hydroxybutyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543225

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide (CID 112542070) is N-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide is CCC(O)CC1CC(NC(C)=O)CN(CCO)C1.
What is the InChIKey of N-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide?
The InChIKey is IPRBOUPJYRGTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-13(18)7-11-6-12(14-10(2)17)9-15(8-11)4-5-16/h11-13,16,18H,3-9H2,1-2H3,(H,14,17).
What are the key properties of N-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide?
N-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide has a molecular weight of 258.36 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 112542070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).