N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide

C12H24N2O2 — CID 94116441

IUPACN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCN1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C12H24N2O2/c1-10-6-11(2)8-14(7-10)5-4-13-12(15)9-16-3/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-,11-/m0/s1
InChIKeyKLUCBTGQOONKML-QWRGUYRKSA-N
MW228.34 g/mol
LogP0.73
Rot. Bonds5

About N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide

N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide (PubChem CID 94116441) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide
PubChem CID94116441
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCN1C[C@@H](C)C[C@H](C)C1
InChIInChI=1S/C12H24N2O2/c1-10-6-11(2)8-14(7-10)5-4-13-12(15)9-16-3/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-,11-/m0/s1
InChIKeyKLUCBTGQOONKML-QWRGUYRKSA-N
XLogP0.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
2-methoxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446588
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(tetrazol-1-yl)acetamide
CID 94116447
N-[2-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55723100
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 55723342
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51725576
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
N-[2-(3-amino-5-methylpiperidin-1-yl)ethyl]acetamide
CID 79993303
N-[2-[3-methyl-5-(methylamino)piperidin-1-yl]ethyl]acetamide
CID 83990134
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 98720693
1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea
CID 51952440
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide
CID 47038146

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide (CID 94116441) is N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide is COCC(=O)NCCN1C[C@@H](C)C[C@H](C)C1.
What is the InChIKey of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide?
The InChIKey is KLUCBTGQOONKML-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-6-11(2)8-14(7-10)5-4-13-12(15)9-16-3/h10-11H,4-9H2,1-3H3,(H,13,15)/t10-,11-/m0/s1.
What are the key properties of N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide?
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide has a molecular weight of 228.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 94116441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).