2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide

C19H28N2O3 — CID 162628228

IUPAC2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCOC1(c2ccccc2)CCN(CC(=O)NCC2CCCO2)CC1
InChIInChI=1S/C19H28N2O3/c1-23-19(16-6-3-2-4-7-16)9-11-21(12-10-19)15-18(22)20-14-17-8-5-13-24-17/h2-4,6-7,17H,5,8-15H2,1H3,(H,20,22)
InChIKeyDVHHGOMIHJSXKS-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.92
Rot. Bonds6

About 2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 162628228) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID162628228
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCOC1(c2ccccc2)CCN(CC(=O)NCC2CCCO2)CC1
InChIInChI=1S/C19H28N2O3/c1-23-19(16-6-3-2-4-7-16)9-11-21(12-10-19)15-18(22)20-14-17-8-5-13-24-17/h2-4,6-7,17H,5,8-15H2,1H3,(H,20,22)
InChIKeyDVHHGOMIHJSXKS-UHFFFAOYSA-N
XLogP1.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124756613
2-(4-benzylsulfonylpiperazin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8694091
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78834128
2-(4-formylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 62655740
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 8689395
2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95334411
2-[3-(2-ethylphenoxy)azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 124752534
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 90507559
2-[4-(2-methylphenyl)-3-oxopiperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97147655
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 60504183
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 61014916

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 162628228) is 2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide is COC1(c2ccccc2)CCN(CC(=O)NCC2CCCO2)CC1.
What is the InChIKey of 2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is DVHHGOMIHJSXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-19(16-6-3-2-4-7-16)9-11-21(12-10-19)15-18(22)20-14-17-8-5-13-24-17/h2-4,6-7,17H,5,8-15H2,1H3,(H,20,22).
What are the key properties of 2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 332.44 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-4-phenylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 162628228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).