1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone

C15H22N2O2 — CID 79993746

IUPAC1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CC(C)CC(N)C1
InChIInChI=1S/C15H22N2O2/c1-11-7-13(16)10-17(9-11)15(18)8-12-5-3-4-6-14(12)19-2/h3-6,11,13H,7-10,16H2,1-2H3
InChIKeyYNESSBYJNGTIBO-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.43
Rot. Bonds3

About 1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone

1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone (PubChem CID 79993746) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
PubChem CID79993746
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CC(C)CC(N)C1
InChIInChI=1S/C15H22N2O2/c1-11-7-13(16)10-17(9-11)15(18)8-12-5-3-4-6-14(12)19-2/h3-6,11,13H,7-10,16H2,1-2H3
InChIKeyYNESSBYJNGTIBO-UHFFFAOYSA-N
XLogP1.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72849634
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 63765744
1-(3-amino-5-methylpiperidin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 79994133
1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 79993365
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
3-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124685255
1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 79993868
3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione
CID 121159517
1-(3-aminopyrrolidin-1-yl)-4-(2-methoxyphenyl)-3-methylbut-2-en-1-one
CID 126795178
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone (CID 79993746) is 1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CC(C)CC(N)C1.
What is the InChIKey of 1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone?
The InChIKey is YNESSBYJNGTIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-7-13(16)10-17(9-11)15(18)8-12-5-3-4-6-14(12)19-2/h3-6,11,13H,7-10,16H2,1-2H3.
What are the key properties of 1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone?
1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 79993746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).