2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide

C20H30N2O3 — CID 146081478

IUPAC2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide
SMILESCO[C@@H]1COC[C@@H]1NC(=O)C(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H30N2O3/c1-15(20(23)21-18-13-25-14-19(18)24-2)22-10-8-17(9-11-22)12-16-6-4-3-5-7-16/h3-7,15,17-19H,8-14H2,1-2H3,(H,21,23)/t15?,18-,19+/m0/s1
InChIKeyDHNSOIASSJXHSC-AOWWOYQVSA-N
MW346.47 g/mol
LogP1.86
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide

2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide (PubChem CID 146081478) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide
PubChem CID146081478
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide
SMILESCO[C@@H]1COC[C@@H]1NC(=O)C(C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H30N2O3/c1-15(20(23)21-18-13-25-14-19(18)24-2)22-10-8-17(9-11-22)12-16-6-4-3-5-7-16/h3-7,15,17-19H,8-14H2,1-2H3,(H,21,23)/t15?,18-,19+/m0/s1
InChIKeyDHNSOIASSJXHSC-AOWWOYQVSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-(morpholin-4-yl)propyl]-N'-(2-phenylethyl)ethanediamide
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2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylethyl)acetamide
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N-benzhydryl-2-(2,6-dimethylmorpholin-4-yl)propanamide
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N-benzhydryl-2-morpholin-4-ylpropanamide
CID 16330511
2-(morpholin-4-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 649885
2-(morpholin-4-yl)-2-oxo-N-(4-phenylbutan-2-yl)acetamide
CID 2908498
(2R,5R)-1-acetyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide
CID 5459737
1-morpholin-4-yl-2-[[(1S)-2-phenylcyclopropyl]amino]ethanone
CID 58486463
US10233152, Example 37
CID 129279763
2-morpholin-4-yl-N-(4-phenylbutan-2-yl)acetamide
CID 2982786

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide (CID 146081478) is 2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide is CO[C@@H]1COC[C@@H]1NC(=O)C(C)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide?
The InChIKey is DHNSOIASSJXHSC-AOWWOYQVSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(20(23)21-18-13-25-14-19(18)24-2)22-10-8-17(9-11-22)12-16-6-4-3-5-7-16/h3-7,15,17-19H,8-14H2,1-2H3,(H,21,23)/t15?,18-,19+/m0/s1.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide?
2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide has a molecular weight of 346.47 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide is sourced from PubChem (CID 146081478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).