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

C21H39N3O2 — CID 11941189

IUPAC2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)NCCN1CCCCC1
InChIInChI=1S/C21H39N3O2/c1-5-17-16-24(20(26)21(2,3)4)13-9-18(17)15-19(25)22-10-14-23-11-7-6-8-12-23/h17-18H,5-16H2,1-4H3,(H,22,25)/t17-,18-/m0/s1
InChIKeyALEVAXRILFBBLO-ROUUACIJSA-N
MW365.56 g/mol
LogP2.90
Rot. Bonds6

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

2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 11941189) has the molecular formula C21H39N3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is 2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID11941189
Molecular FormulaC21H39N3O2
Molecular Weight365.56 g/mol
Exact Mass365.30
IUPAC Name2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)NCCN1CCCCC1
InChIInChI=1S/C21H39N3O2/c1-5-17-16-24(20(26)21(2,3)4)13-9-18(17)15-19(25)22-10-14-23-11-7-6-8-12-23/h17-18H,5-16H2,1-4H3,(H,22,25)/t17-,18-/m0/s1
InChIKeyALEVAXRILFBBLO-ROUUACIJSA-N
XLogP2.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide with MolForge

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Related Compounds

2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 11913147
2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 163182330
3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 73139388
2-(1-acetyl-3-ethylpiperidin-4-yl)-N-propylacetamide
CID 73139163
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
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 63613064
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
CID 40587829
2-[(3R,4S)-3-[2-(diethylazaniumyl)ethyl]-1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate
CID 28959536
2-(4-aminocyclohexyl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 55116762

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide (CID 11941189) is 2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide is CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)NCCN1CCCCC1.
What is the InChIKey of 2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is ALEVAXRILFBBLO-ROUUACIJSA-N. The full InChI is InChI=1S/C21H39N3O2/c1-5-17-16-24(20(26)21(2,3)4)13-9-18(17)15-19(25)22-10-14-23-11-7-6-8-12-23/h17-18H,5-16H2,1-4H3,(H,22,25)/t17-,18-/m0/s1.
What are the key properties of 2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide?
2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 365.56 g/mol, XLogP of 2.90, 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-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 11941189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).