N-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide

C13H26N2O2 — CID 96554398

IUPACN-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(C[C@@H]1CCCCN1CCO)C(C)C
InChIInChI=1S/C13H26N2O2/c1-11(2)15(12(3)17)10-13-6-4-5-7-14(13)8-9-16/h11,13,16H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyYHATVSHLKLEILE-ZDUSSCGKSA-N
MW242.36 g/mol
LogP1.09
Rot. Bonds5

About N-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide

N-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide (PubChem CID 96554398) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide
PubChem CID96554398
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(C[C@@H]1CCCCN1CCO)C(C)C
InChIInChI=1S/C13H26N2O2/c1-11(2)15(12(3)17)10-13-6-4-5-7-14(13)8-9-16/h11,13,16H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyYHATVSHLKLEILE-ZDUSSCGKSA-N
XLogP1.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-N-[(1-propylpiperidin-2-yl)methyl]acetamide
CID 163258053
tert-butyl N-[[1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylcarbamate
CID 66566035
N-propan-2-yl-N-[(1-propan-2-ylpiperidin-2-yl)methyl]acetamide
CID 163258628
N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 66567339
2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetamide
CID 14209997
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43186999
N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide
CID 66567395
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanol
CID 96554125
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one
CID 62888278
1-[1-[2-(dimethylamino)ethyl]azepan-2-yl]propan-2-ol
CID 114338880
2-[2-[[phenylmethoxycarbonyl(propan-2-yl)amino]methyl]piperidin-1-yl]acetic acid
CID 66566911
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 96553811

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide (CID 96554398) is N-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide is CC(=O)N(C[C@@H]1CCCCN1CCO)C(C)C.
What is the InChIKey of N-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide?
The InChIKey is YHATVSHLKLEILE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)15(12(3)17)10-13-6-4-5-7-14(13)8-9-16/h11,13,16H,4-10H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide?
N-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 96554398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).