1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone

C21H26N2O2 — CID 119378819

IUPAC1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone
SMILESCc1cccc(COc2cccc(CC(=O)N3CCCC(N)C3)c2)c1
InChIInChI=1S/C21H26N2O2/c1-16-5-2-7-18(11-16)15-25-20-9-3-6-17(12-20)13-21(24)23-10-4-8-19(22)14-23/h2-3,5-7,9,11-12,19H,4,8,10,13-15,22H2,1H3
InChIKeyNCPXVMKRQLADAO-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.07
Rot. Bonds5

About 1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone

1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone (PubChem CID 119378819) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone
PubChem CID119378819
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone
SMILESCc1cccc(COc2cccc(CC(=O)N3CCCC(N)C3)c2)c1
InChIInChI=1S/C21H26N2O2/c1-16-5-2-7-18(11-16)15-25-20-9-3-6-17(12-20)13-21(24)23-10-4-8-19(22)14-23/h2-3,5-7,9,11-12,19H,4,8,10,13-15,22H2,1H3
InChIKeyNCPXVMKRQLADAO-UHFFFAOYSA-N
XLogP3.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 55220165
(3-aminopyrrolidin-1-yl)-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 146081197
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
CID 81338801
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
1-(3-aminopiperidin-1-yl)-2-(3-iodophenyl)ethanone;hydrochloride
CID 119378221
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 119464795
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
[(3R)-3-aminopiperidin-1-yl]-[3-[(3-fluorophenoxy)methyl]phenyl]methanone
CID 124593731
2-(3-hydroxyphenyl)-1-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 95894928
2-[3-(2-aminoethoxy)phenyl]-1-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]ethanone
CID 126450881
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 79880159

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone (CID 119378819) is 1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone is Cc1cccc(COc2cccc(CC(=O)N3CCCC(N)C3)c2)c1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone?
The InChIKey is NCPXVMKRQLADAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-5-2-7-18(11-16)15-25-20-9-3-6-17(12-20)13-21(24)23-10-4-8-19(22)14-23/h2-3,5-7,9,11-12,19H,4,8,10,13-15,22H2,1H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone?
1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone has a molecular weight of 338.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 119378819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).