2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide

C18H33N3O2 — CID 11913147

IUPAC2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)NCCN1CCCCC1
InChIInChI=1S/C18H33N3O2/c1-3-16-14-21(15(2)22)11-7-17(16)13-18(23)19-8-12-20-9-5-4-6-10-20/h16-17H,3-14H2,1-2H3,(H,19,23)/t16-,17-/m0/s1
InChIKeyWFFNCHFYGQDRAO-IRXDYDNUSA-N
MW323.48 g/mol
LogP1.87
Rot. Bonds6

About 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide

2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 11913147) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID11913147
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)NCCN1CCCCC1
InChIInChI=1S/C18H33N3O2/c1-3-16-14-21(15(2)22)11-7-17(16)13-18(23)19-8-12-20-9-5-4-6-10-20/h16-17H,3-14H2,1-2H3,(H,19,23)/t16-,17-/m0/s1
InChIKeyWFFNCHFYGQDRAO-IRXDYDNUSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 11941189
2-(1-acetyl-3-ethylpiperidin-4-yl)-N-propylacetamide
CID 73139163
2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 163182330
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
CID 40587829
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide
CID 11912296
3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 73139388
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 162806846
1-(2-piperidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55149905
2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 63613064
2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 55116762
N-(2-piperidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide
CID 54967426

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide (CID 11913147) is 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide is CC[C@H]1CN(C(C)=O)CC[C@H]1CC(=O)NCCN1CCCCC1.
What is the InChIKey of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is WFFNCHFYGQDRAO-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-3-16-14-21(15(2)22)11-7-17(16)13-18(23)19-8-12-20-9-5-4-6-10-20/h16-17H,3-14H2,1-2H3,(H,19,23)/t16-,17-/m0/s1.
What are the key properties of 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide?
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 323.48 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 11913147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).