2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide

C22H33N3O2 — CID 163182330

IUPAC2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCCC1CN(C(=O)c2ccccc2)CCC1CC(=O)NCCN1CCCC1
InChIInChI=1S/C22H33N3O2/c1-2-18-17-25(22(27)19-8-4-3-5-9-19)14-10-20(18)16-21(26)23-11-15-24-12-6-7-13-24/h3-5,8-9,18,20H,2,6-7,10-17H2,1H3,(H,23,26)
InChIKeyZPFALMVSMKETRX-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.78
Rot. Bonds7

About 2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide

2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 163182330) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID163182330
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCCC1CN(C(=O)c2ccccc2)CCC1CC(=O)NCCN1CCCC1
InChIInChI=1S/C22H33N3O2/c1-2-18-17-25(22(27)19-8-4-3-5-9-19)14-10-20(18)16-21(26)23-11-15-24-12-6-7-13-24/h3-5,8-9,18,20H,2,6-7,10-17H2,1H3,(H,23,26)
InChIKeyZPFALMVSMKETRX-UHFFFAOYSA-N
XLogP2.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 11913147
2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 162806846
2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
CID 162804419
2-[(3R,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
CID 11912038
2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 163162329
2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 11941189
2-[(3R,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11912039
3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 73139388
2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 73147830
2-(1-benzoyl-3-ethylpiperidin-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 73148945
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 46295063
1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 154800157

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 163182330) is 2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide is CCC1CN(C(=O)c2ccccc2)CCC1CC(=O)NCCN1CCCC1.
What is the InChIKey of 2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is ZPFALMVSMKETRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-2-18-17-25(22(27)19-8-4-3-5-9-19)14-10-20(18)16-21(26)23-11-15-24-12-6-7-13-24/h3-5,8-9,18,20H,2,6-7,10-17H2,1H3,(H,23,26).
What are the key properties of 2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 371.53 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 163182330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).