1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone

C14H20N2O3 — CID 82042591

IUPAC1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C14H20N2O3/c1-18-12-2-4-13(5-3-12)19-10-14(17)16-8-6-11(15)7-9-16/h2-5,11H,6-10,15H2,1H3
InChIKeyFWMVIHCTMZQSAQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.02
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone

1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone (PubChem CID 82042591) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
PubChem CID82042591
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C14H20N2O3/c1-18-12-2-4-13(5-3-12)19-10-14(17)16-8-6-11(15)7-9-16/h2-5,11H,6-10,15H2,1H3
InChIKeyFWMVIHCTMZQSAQ-UHFFFAOYSA-N
XLogP1.02
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
3-[1-[2-(4-methoxyphenoxy)acetyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 42160228
2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050601
2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971281
1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride
CID 119374647
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
1-(4-aminopiperidin-1-yl)-2-[4-(1,3-dithian-2-yl)phenoxy]ethanone
CID 119373508
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
CID 119934376
2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone
CID 119376034
1-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 2878195
2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
CID 25474322
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 55501802

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone (CID 82042591) is 1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone is COc1ccc(OCC(=O)N2CCC(N)CC2)cc1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone?
The InChIKey is FWMVIHCTMZQSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-2-4-13(5-3-12)19-10-14(17)16-8-6-11(15)7-9-16/h2-5,11H,6-10,15H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone?
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone has a molecular weight of 264.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 82042591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).