3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide

C20H28N2O4 — CID 91793611

IUPAC3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
SMILESO=C(CCN1CCCCC1=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C20H28N2O4/c23-19(9-12-22-11-5-4-8-20(22)24)21-17-10-13-25-15-18(17)26-14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,21,23)/t17-,18-/m1/s1
InChIKeyIYTQJGLDLBXIEI-QZTJIDSGSA-N
MW360.45 g/mol
LogP1.88
Rot. Bonds7

About 3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide

3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide (PubChem CID 91793611) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide.

Molecular Properties

Compound Name3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
PubChem CID91793611
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
SMILESO=C(CCN1CCCCC1=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C20H28N2O4/c23-19(9-12-22-11-5-4-8-20(22)24)21-17-10-13-25-15-18(17)26-14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,21,23)/t17-,18-/m1/s1
InChIKeyIYTQJGLDLBXIEI-QZTJIDSGSA-N
XLogP1.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-3-piperidin-1-ylpropanamide
CID 91766954
3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91795731
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-piperidin-1-ylacetamide
CID 91786681
4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide
CID 91785748
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide
CID 133268380
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91771876
2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91782131
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
3-(3-chloro-1,2-oxazol-5-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91790407
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide
CID 91830789
3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91761236

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide?
The IUPAC name of 3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide (CID 91793611) is 3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide.
What is the SMILES notation for 3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide?
The canonical SMILES for 3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide is O=C(CCN1CCCCC1=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1.
What is the InChIKey of 3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide?
The InChIKey is IYTQJGLDLBXIEI-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H28N2O4/c23-19(9-12-22-11-5-4-8-20(22)24)21-17-10-13-25-15-18(17)26-14-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,21,23)/t17-,18-/m1/s1.
What are the key properties of 3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide?
3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide has a molecular weight of 360.45 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide is sourced from PubChem (CID 91793611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).