N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide

C22H33N3O3 — CID 25458865

IUPACN-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCOc1ccc(CCN2CCC[C@@H](CN(C)C(=O)CN3CCCC3=O)C2)cc1
InChIInChI=1S/C22H33N3O3/c1-23(22(27)17-25-13-4-6-21(25)26)15-19-5-3-12-24(16-19)14-11-18-7-9-20(28-2)10-8-18/h7-10,19H,3-6,11-17H2,1-2H3/t19-/m0/s1
InChIKeyXYHUJGSZPNOQPP-IBGZPJMESA-N
MW387.52 g/mol
LogP2.03
Rot. Bonds8

About N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide

N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 25458865) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID25458865
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCOc1ccc(CCN2CCC[C@@H](CN(C)C(=O)CN3CCCC3=O)C2)cc1
InChIInChI=1S/C22H33N3O3/c1-23(22(27)17-25-13-4-6-21(25)26)15-19-5-3-12-24(16-19)14-11-18-7-9-20(28-2)10-8-18/h7-10,19H,3-6,11-17H2,1-2H3/t19-/m0/s1
InChIKeyXYHUJGSZPNOQPP-IBGZPJMESA-N
XLogP2.03
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methylurea
CID 42566930
1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-phenylurea
CID 42456744
2-(4-methoxyphenyl)-N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]acetamide
CID 45187969
N-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 42098715
2-(1H-imidazol-5-yl)-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
CID 97268630
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 45199861
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 42564848
2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
CID 69347773
3-(bromomethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 80679538
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 42212910
N'-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42404091
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 42191738

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide (CID 25458865) is N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide is COc1ccc(CCN2CCC[C@@H](CN(C)C(=O)CN3CCCC3=O)C2)cc1.
What is the InChIKey of N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is XYHUJGSZPNOQPP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H33N3O3/c1-23(22(27)17-25-13-4-6-21(25)26)15-19-5-3-12-24(16-19)14-11-18-7-9-20(28-2)10-8-18/h7-10,19H,3-6,11-17H2,1-2H3/t19-/m0/s1.
What are the key properties of N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 387.52 g/mol, XLogP of 2.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 25458865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).