N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide

C14H26N2O4 — CID 75385876

IUPACN-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H](C(=O)N1CCC(CO)CC1)C(C)C
InChIInChI=1S/C14H26N2O4/c1-10(2)13(15-12(18)9-20-3)14(19)16-6-4-11(8-17)5-7-16/h10-11,13,17H,4-9H2,1-3H3,(H,15,18)/t13-/m0/s1
InChIKeyDVAWDXKRZKBRLE-ZDUSSCGKSA-N
MW286.37 g/mol
LogP0.00
Rot. Bonds6

About N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide

N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide (PubChem CID 75385876) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide
PubChem CID75385876
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC NameN-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H](C(=O)N1CCC(CO)CC1)C(C)C
InChIInChI=1S/C14H26N2O4/c1-10(2)13(15-12(18)9-20-3)14(19)16-6-4-11(8-17)5-7-16/h10-11,13,17H,4-9H2,1-3H3,(H,15,18)/t13-/m0/s1
InChIKeyDVAWDXKRZKBRLE-ZDUSSCGKSA-N
XLogP0.00
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-(Hydroxymethyl)piperidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 53515582
N-[(3S,4S)-4-(hydroxymethyl)-1-tetrahydro-2H-pyran-4-ylhexahydro-3-pyridinyl]-2-methoxyacetamide
CID 91920876
N-[(3S,4S)-1-cycloheptyl-4-(hydroxymethyl)piperidin-3-yl]-2-methoxyacetamide
CID 124074259
N-[2-(diethylamino)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
CID 46032231
ethane;methane;methyl N-[1-[(3S)-3-hydroxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 144153341
3-hydroxy-N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methoxy-1-oxopropan-2-yl]propanamide
CID 169934426
1-(2-((2-Methoxyethyl)amino)-2-oxoethyl)piperidine-4-carboxylic acid
CID 39348158
N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methylbutanamide
CID 42845391
2-Amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 43133250
1-[2-(1-Methoxypropan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43385802
1-[1-(2-Methoxyethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 43385843
N-[1-(3-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 43415747

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide (CID 75385876) is N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide is COCC(=O)N[C@H](C(=O)N1CCC(CO)CC1)C(C)C.
What is the InChIKey of N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide?
The InChIKey is DVAWDXKRZKBRLE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(2)13(15-12(18)9-20-3)14(19)16-6-4-11(8-17)5-7-16/h10-11,13,17H,4-9H2,1-3H3,(H,15,18)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide?
N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide has a molecular weight of 286.37 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 75385876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).