2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone

C19H28N2O3 — CID 120789992

IUPAC2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
SMILESNC(C(=O)N1CCC(COc2ccccc2)CC1)C1CCOCC1
InChIInChI=1S/C19H28N2O3/c20-18(16-8-12-23-13-9-16)19(22)21-10-6-15(7-11-21)14-24-17-4-2-1-3-5-17/h1-5,15-16,18H,6-14,20H2
InChIKeyPEADYMCDITZOBI-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.06
Rot. Bonds5

About 2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone

2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone (PubChem CID 120789992) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
PubChem CID120789992
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
SMILESNC(C(=O)N1CCC(COc2ccccc2)CC1)C1CCOCC1
InChIInChI=1S/C19H28N2O3/c20-18(16-8-12-23-13-9-16)19(22)21-10-6-15(7-11-21)14-24-17-4-2-1-3-5-17/h1-5,15-16,18H,6-14,20H2
InChIKeyPEADYMCDITZOBI-UHFFFAOYSA-N
XLogP2.06
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119304911
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120791673
2-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120785119
2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120798264
3-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119751577
2-amino-1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120791142
2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone
CID 120792528
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
[(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea
CID 124852461
N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide
CID 167912458
2-amino-1-(4-benzyl-1,4-diazepan-1-yl)-2-(oxan-4-yl)ethanone
CID 120782467

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone (CID 120789992) is 2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone is NC(C(=O)N1CCC(COc2ccccc2)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is PEADYMCDITZOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c20-18(16-8-12-23-13-9-16)19(22)21-10-6-15(7-11-21)14-24-17-4-2-1-3-5-17/h1-5,15-16,18H,6-14,20H2.
What are the key properties of 2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone?
2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 332.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 120789992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).