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

C14H28N2O2 — CID 112542064

IUPACN-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CC(CC(C)(C)C)CN(CCO)C1
InChIInChI=1S/C14H28N2O2/c1-11(18)15-13-7-12(8-14(2,3)4)9-16(10-13)5-6-17/h12-13,17H,5-10H2,1-4H3,(H,15,18)
InChIKeyXUBARNMLURAHIS-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.24
Rot. Bonds4

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

N-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide (PubChem CID 112542064) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide
PubChem CID112542064
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CC(CC(C)(C)C)CN(CCO)C1
InChIInChI=1S/C14H28N2O2/c1-11(18)15-13-7-12(8-14(2,3)4)9-16(10-13)5-6-17/h12-13,17H,5-10H2,1-4H3,(H,15,18)
InChIKeyXUBARNMLURAHIS-UHFFFAOYSA-N
XLogP1.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2,2-dimethylpropyl)-1-propylpiperidin-3-yl]acetamide
CID 112541700
2-[3-(cyclopropylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanol
CID 83992003
N-[5-(2-hydroxybutyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide
CID 112542070
methyl N-[1-(2-aminoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543587
3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid
CID 83995471
N-[1-(cyclopentylmethyl)-5-(2-hydroxyethyl)piperidin-3-yl]acetamide
CID 112542022
N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]acetamide
CID 112541972
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112544828
N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542522
1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989732
N-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetamide
CID 58877738
methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543603

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide (CID 112542064) is N-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide is CC(=O)NC1CC(CC(C)(C)C)CN(CCO)C1.
What is the InChIKey of N-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide?
The InChIKey is XUBARNMLURAHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(18)15-13-7-12(8-14(2,3)4)9-16(10-13)5-6-17/h12-13,17H,5-10H2,1-4H3,(H,15,18).
What are the key properties of N-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide?
N-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropyl)-1-(2-hydroxyethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 112542064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).