2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide

C16H23N3O3 — CID 126442191

IUPAC2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide
SMILESCN1C[C@H](NC(=O)Cc2cccc(OCCN)c2)CCC1=O
InChIInChI=1S/C16H23N3O3/c1-19-11-13(5-6-16(19)21)18-15(20)10-12-3-2-4-14(9-12)22-8-7-17/h2-4,9,13H,5-8,10-11,17H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyAEIYJBARQYZMRY-CYBMUJFWSA-N
MW305.38 g/mol
LogP0.30
Rot. Bonds6

About 2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide

2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide (PubChem CID 126442191) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide
PubChem CID126442191
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide
SMILESCN1C[C@H](NC(=O)Cc2cccc(OCCN)c2)CCC1=O
InChIInChI=1S/C16H23N3O3/c1-19-11-13(5-6-16(19)21)18-15(20)10-12-3-2-4-14(9-12)22-8-7-17/h2-4,9,13H,5-8,10-11,17H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyAEIYJBARQYZMRY-CYBMUJFWSA-N
XLogP0.30
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64656494
2-[3-(2-aminoethoxy)phenyl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 118774113
3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 75494351
2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64654058
2-[3-(2-aminoethoxy)phenyl]-N-[1-(thian-4-yl)piperidin-4-yl]acetamide
CID 118771400
N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide
CID 71994599
2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171153351
3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64655886
3-benzylsulfanyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 135089627
3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide
CID 124575480
1-[3-(2-aminoethoxy)phenyl]-3,3-dimethylbutan-2-one
CID 59320009
4-(2-aminoethyl)-5-methyl-N-(1-methyl-6-oxopiperidin-3-yl)hexanamide
CID 64669409

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide?
The IUPAC name of 2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide (CID 126442191) is 2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide.
What is the SMILES notation for 2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide?
The canonical SMILES for 2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide is CN1C[C@H](NC(=O)Cc2cccc(OCCN)c2)CCC1=O.
What is the InChIKey of 2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide?
The InChIKey is AEIYJBARQYZMRY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-19-11-13(5-6-16(19)21)18-15(20)10-12-3-2-4-14(9-12)22-8-7-17/h2-4,9,13H,5-8,10-11,17H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide?
2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide has a molecular weight of 305.38 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide is sourced from PubChem (CID 126442191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).