N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide

C18H28N2O2 — CID 124730164

IUPACN-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide
SMILESCCOCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C18H28N2O2/c1-4-22-14-18(21)19(3)17-10-11-20(12-15(17)2)13-16-8-6-5-7-9-16/h5-9,15,17H,4,10-14H2,1-3H3/t15-,17-/m1/s1
InChIKeyGYBXUYWFDANQME-NVXWUHKLSA-N
MW304.43 g/mol
LogP2.39
Rot. Bonds6

About N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide

N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide (PubChem CID 124730164) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide
PubChem CID124730164
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide
SMILESCCOCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C18H28N2O2/c1-4-22-14-18(21)19(3)17-10-11-20(12-15(17)2)13-16-8-6-5-7-9-16/h5-9,15,17H,4,10-14H2,1-3H3/t15-,17-/m1/s1
InChIKeyGYBXUYWFDANQME-NVXWUHKLSA-N
XLogP2.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
CID 125145982
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-prop-2-ynylurea
CID 71848262
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-prop-2-ynylurea
CID 96542989
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
CID 125146001
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide
CID 100624175
(3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124683430
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 98773676
1-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(4-nitrophenyl)urea
CID 96533749
(3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine
CID 99606871
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
1-(1-benzyl-3-methylpiperidin-4-yl)-3-[3-chloro-2-(2-methoxyethoxy)phenyl]-1-methylurea
CID 71847774

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide?
The IUPAC name of N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide (CID 124730164) is N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide.
What is the SMILES notation for N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide?
The canonical SMILES for N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide is CCOCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C[C@H]1C.
What is the InChIKey of N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide?
The InChIKey is GYBXUYWFDANQME-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-22-14-18(21)19(3)17-10-11-20(12-15(17)2)13-16-8-6-5-7-9-16/h5-9,15,17H,4,10-14H2,1-3H3/t15-,17-/m1/s1.
What are the key properties of N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide?
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide has a molecular weight of 304.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide is sourced from PubChem (CID 124730164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).