N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide

C20H30N2O3 — CID 91776740

IUPACN-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H30N2O3/c1-2-25-19-15-24-13-10-18(19)21-20(23)14-22-11-8-17(9-12-22)16-6-4-3-5-7-16/h3-7,17-19H,2,8-15H2,1H3,(H,21,23)/t18-,19-/m1/s1
InChIKeyFIXHVTWYBCJMMT-RTBURBONSA-N
MW346.47 g/mol
LogP2.18
Rot. Bonds6

About N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide

N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide (PubChem CID 91776740) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide
PubChem CID91776740
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H30N2O3/c1-2-25-19-15-24-13-10-18(19)21-20(23)14-22-11-8-17(9-12-22)16-6-4-3-5-7-16/h3-7,17-19H,2,8-15H2,1H3,(H,21,23)/t18-,19-/m1/s1
InChIKeyFIXHVTWYBCJMMT-RTBURBONSA-N
XLogP2.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 91768208
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-piperidin-1-ylacetamide
CID 91786681
N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide
CID 91760979
N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 91787158
2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide
CID 91774837
N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 133266894
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 133267233
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide
CID 91764505
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 91794402
2-(azepan-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
CID 91781794

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide (CID 91776740) is N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide is CCO[C@@H]1COCC[C@H]1NC(=O)CN1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide?
The InChIKey is FIXHVTWYBCJMMT-RTBURBONSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-2-25-19-15-24-13-10-18(19)21-20(23)14-22-11-8-17(9-12-22)16-6-4-3-5-7-16/h3-7,17-19H,2,8-15H2,1H3,(H,21,23)/t18-,19-/m1/s1.
What are the key properties of N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide?
N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-phenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 91776740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).