3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one

C17H26N2O3 — CID 120873928

IUPAC3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one
SMILESCOc1ccccc1COC1CCN(C(=O)CC(C)N)CC1
InChIInChI=1S/C17H26N2O3/c1-13(18)11-17(20)19-9-7-15(8-10-19)22-12-14-5-3-4-6-16(14)21-2/h3-6,13,15H,7-12,18H2,1-2H3
InChIKeySIZLQSAVVGFPBJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.94
Rot. Bonds6

About 3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one

3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one (PubChem CID 120873928) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one
PubChem CID120873928
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one
SMILESCOc1ccccc1COC1CCN(C(=O)CC(C)N)CC1
InChIInChI=1S/C17H26N2O3/c1-13(18)11-17(20)19-9-7-15(8-10-19)22-12-14-5-3-4-6-16(14)21-2/h3-6,13,15H,7-12,18H2,1-2H3
InChIKeySIZLQSAVVGFPBJ-UHFFFAOYSA-N
XLogP1.94
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one
CID 119814869
3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119814868
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one
CID 119661795
N-[(1R)-1-cyclobutylethyl]-4-[(2-methoxyphenyl)methoxy]piperidine-1-carboxamide
CID 97160902
N-(1-cyclobutylethyl)-4-[(2-methoxyphenyl)methoxy]piperidine-1-carboxamide
CID 84593996
(4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 84594202
4-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674625
3-[4-[(2-methoxyphenyl)methoxy]piperidine-1-carbonyl]benzoic acid
CID 120551630
[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone
CID 129400331
[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]-[(2R,3S)-2-methyloxan-3-yl]methanone
CID 129400330
4-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]pentan-1-one;hydrochloride
CID 120562065
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one?
The IUPAC name of 3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one (CID 120873928) is 3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one is COc1ccccc1COC1CCN(C(=O)CC(C)N)CC1.
What is the InChIKey of 3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one?
The InChIKey is SIZLQSAVVGFPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(18)11-17(20)19-9-7-15(8-10-19)22-12-14-5-3-4-6-16(14)21-2/h3-6,13,15H,7-12,18H2,1-2H3.
What are the key properties of 3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one?
3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one has a molecular weight of 306.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 120873928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).