2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide

C14H18N2O3 — CID 94801293

IUPAC2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2CCCNC2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-10-4-6-11(7-5-10)19-9-13(17)16-12-3-2-8-15-14(12)18/h4-7,12H,2-3,8-9H2,1H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKeyABZMQUBPGMFTHU-LBPRGKRZSA-N
MW262.31 g/mol
LogP0.77
Rot. Bonds4

About 2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide

2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide (PubChem CID 94801293) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
PubChem CID94801293
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2CCCNC2=O)cc1
InChIInChI=1S/C14H18N2O3/c1-10-4-6-11(7-5-10)19-9-13(17)16-12-3-2-8-15-14(12)18/h4-7,12H,2-3,8-9H2,1H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKeyABZMQUBPGMFTHU-LBPRGKRZSA-N
XLogP0.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]acetamide
CID 94219466
2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide
CID 130340818
3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide
CID 62094525
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
4-(4-ethoxyphenyl)-4-oxo-N-(2-oxopiperidin-3-yl)butanamide
CID 51099351
4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide
CID 94799342
3-(4-methylphenyl)-N-(2-oxoazepan-3-yl)propanamide
CID 47031035
2-(4-methylphenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120576127
N-[(3S)-2-oxopiperidin-3-yl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 95048353
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide (CID 94801293) is 2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide is Cc1ccc(OCC(=O)N[C@H]2CCCNC2=O)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide?
The InChIKey is ABZMQUBPGMFTHU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-4-6-11(7-5-10)19-9-13(17)16-12-3-2-8-15-14(12)18/h4-7,12H,2-3,8-9H2,1H3,(H,15,18)(H,16,17)/t12-/m0/s1.
What are the key properties of 2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide?
2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide has a molecular weight of 262.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide is sourced from PubChem (CID 94801293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).