N-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide

C19H26N2O4 — CID 167887089

IUPACN-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1(c2ccccc2)CCN(C(=O)C2COCCO2)CC1
InChIInChI=1S/C19H26N2O4/c1-15(22)20-14-19(16-5-3-2-4-6-16)7-9-21(10-8-19)18(23)17-13-24-11-12-25-17/h2-6,17H,7-14H2,1H3,(H,20,22)
InChIKeyOQAGGWHWCLUSMH-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.10
Rot. Bonds4

About N-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide

N-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide (PubChem CID 167887089) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide
PubChem CID167887089
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1(c2ccccc2)CCN(C(=O)C2COCCO2)CC1
InChIInChI=1S/C19H26N2O4/c1-15(22)20-14-19(16-5-3-2-4-6-16)7-9-21(10-8-19)18(23)17-13-24-11-12-25-17/h2-6,17H,7-14H2,1H3,(H,20,22)
InChIKeyOQAGGWHWCLUSMH-UHFFFAOYSA-N
XLogP1.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-4-(oxolane-2-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111301756
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1,4-dioxan-2-yl)methanone
CID 113222366
[(2R)-1,4-dioxan-2-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 95893815
N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide
CID 42940584
(2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26346946
(2S)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26346949
2,2-dimethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide
CID 38290092
(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide
CID 95272452
1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 74249525
N-[[1-[(1R,6R)-6-methylcyclohex-3-ene-1-carbonyl]-4-phenylpiperidin-4-yl]methyl]prop-2-enamide
CID 154875609
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 56502005
3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443730

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide (CID 167887089) is N-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide is CC(=O)NCC1(c2ccccc2)CCN(C(=O)C2COCCO2)CC1.
What is the InChIKey of N-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide?
The InChIKey is OQAGGWHWCLUSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-15(22)20-14-19(16-5-3-2-4-6-16)7-9-21(10-8-19)18(23)17-13-24-11-12-25-17/h2-6,17H,7-14H2,1H3,(H,20,22).
What are the key properties of N-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide?
N-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,4-dioxane-2-carbonyl)-4-phenylpiperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 167887089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).