N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide

C20H28N2O4 — CID 133139049

IUPACN-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N[C@@H]2COC[C@H]2N2CCCCC2)cc1
InChIInChI=1S/C20H28N2O4/c1-2-19(23)15-6-8-16(9-7-15)26-14-20(24)21-17-12-25-13-18(17)22-10-4-3-5-11-22/h6-9,17-18H,2-5,10-14H2,1H3,(H,21,24)/t17-,18-/m1/s1
InChIKeySOTJKIQLORFGBU-QZTJIDSGSA-N
MW360.45 g/mol
LogP2.03
Rot. Bonds7

About N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide

N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 133139049) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide
PubChem CID133139049
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N[C@@H]2COC[C@H]2N2CCCCC2)cc1
InChIInChI=1S/C20H28N2O4/c1-2-19(23)15-6-8-16(9-7-15)26-14-20(24)21-17-12-25-13-18(17)22-10-4-3-5-11-22/h6-9,17-18H,2-5,10-14H2,1H3,(H,21,24)/t17-,18-/m1/s1
InChIKeySOTJKIQLORFGBU-QZTJIDSGSA-N
XLogP2.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-(4-propanoylphenoxy)acetamide
CID 2549658
3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
CID 91788231
N-(cyclohexylmethyl)-2-(4-propanoylphenoxy)acetamide
CID 78760578
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855189
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(4-propanoylphenoxy)acetamide
CID 154817657
acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
CID 154905942
2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2714751
3-methoxy-5-[[(3R,4R)-4-piperidin-1-yloxolan-3-yl]carbamoyl]benzoic acid
CID 118772644
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 11939223
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 156584374
1-[4-[2-oxo-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 17234094
6-oxo-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-1H-pyridine-3-carboxamide
CID 133260544

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide (CID 133139049) is N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)N[C@@H]2COC[C@H]2N2CCCCC2)cc1.
What is the InChIKey of N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is SOTJKIQLORFGBU-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-2-19(23)15-6-8-16(9-7-15)26-14-20(24)21-17-12-25-13-18(17)22-10-4-3-5-11-22/h6-9,17-18H,2-5,10-14H2,1H3,(H,21,24)/t17-,18-/m1/s1.
What are the key properties of N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide?
N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 360.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 133139049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).