4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide

C17H22N2O4 — CID 94799342

IUPAC4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)N[C@H]2CCCNC2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-2-23-13-7-5-12(6-8-13)15(20)9-10-16(21)19-14-4-3-11-18-17(14)22/h5-8,14H,2-4,9-11H2,1H3,(H,18,22)(H,19,21)/t14-/m0/s1
InChIKeyJTIDDEJYSXFHCJ-AWEZNQCLSA-N
MW318.37 g/mol
LogP1.44
Rot. Bonds7

About 4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide

4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide (PubChem CID 94799342) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide
PubChem CID94799342
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)N[C@H]2CCCNC2=O)cc1
InChIInChI=1S/C17H22N2O4/c1-2-23-13-7-5-12(6-8-13)15(20)9-10-16(21)19-14-4-3-11-18-17(14)22/h5-8,14H,2-4,9-11H2,1H3,(H,18,22)(H,19,21)/t14-/m0/s1
InChIKeyJTIDDEJYSXFHCJ-AWEZNQCLSA-N
XLogP1.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyphenyl)-4-oxo-N-(2-oxopiperidin-3-yl)butanamide
CID 51099351
3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide
CID 62094525
4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 7973970
2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
CID 94801293
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 51273592
4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
CID 120555349
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 62094346
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119426454
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 94810319

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide (CID 94799342) is 4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide is CCOc1ccc(C(=O)CCC(=O)N[C@H]2CCCNC2=O)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide?
The InChIKey is JTIDDEJYSXFHCJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-2-23-13-7-5-12(6-8-13)15(20)9-10-16(21)19-14-4-3-11-18-17(14)22/h5-8,14H,2-4,9-11H2,1H3,(H,18,22)(H,19,21)/t14-/m0/s1.
What are the key properties of 4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide?
4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide has a molecular weight of 318.37 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide is sourced from PubChem (CID 94799342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).