N-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide

C14H28N2O2 — CID 136534703

IUPACN-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide
SMILESCC1CCN(CC(=O)NC(C)(C)C)C(C(C)O)C1
InChIInChI=1S/C14H28N2O2/c1-10-6-7-16(12(8-10)11(2)17)9-13(18)15-14(3,4)5/h10-12,17H,6-9H2,1-5H3,(H,15,18)
InChIKeyUDAHDVIEIKCQOI-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.38
Rot. Bonds3

About N-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide

N-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide (PubChem CID 136534703) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide
PubChem CID136534703
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide
SMILESCC1CCN(CC(=O)NC(C)(C)C)C(C(C)O)C1
InChIInChI=1S/C14H28N2O2/c1-10-6-7-16(12(8-10)11(2)17)9-13(18)15-14(3,4)5/h10-12,17H,6-9H2,1-5H3,(H,15,18)
InChIKeyUDAHDVIEIKCQOI-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-1-(cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 16745912
(6R)-1-(4-cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 16745917
2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 53616550
N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-(dimethylamino)acetamide
CID 102562239
(2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide
CID 164632719
2-[2-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 112391539
1-(Cyclohexylmethyl)-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 73319663
1-(4-Cyclohexylbutyl)-6-(1-hydroxyethyl)piperazine-2,3-dione
CID 73319667
2-[2-[[(4-Hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide
CID 19845997
N-[(3S,4S)-4-amino-5-cyclohexyl-3-hydroxypentyl]-2-(dimethylamino)acetamide
CID 57257401
2-(2,2-Diethyl-4-hydroxypiperidin-1-yl)acetamide
CID 67923867
N-[(1S)-1-cyclohexyl-2-hydroxy-2-[(3S)-3-methylpiperazin-1-yl]ethyl]acetamide
CID 138665947

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide (CID 136534703) is N-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide is CC1CCN(CC(=O)NC(C)(C)C)C(C(C)O)C1.
What is the InChIKey of N-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide?
The InChIKey is UDAHDVIEIKCQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10-6-7-16(12(8-10)11(2)17)9-13(18)15-14(3,4)5/h10-12,17H,6-9H2,1-5H3,(H,15,18).
What are the key properties of N-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide?
N-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 136534703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).