4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide

C22H26N2O5 — CID 38022224

IUPAC4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C22H26N2O5/c1-2-29-19-5-3-16(4-6-19)20(25)7-8-21(26)23-18-9-12-24(13-10-18)22(27)17-11-14-28-15-17/h3-6,11,14-15,18H,2,7-10,12-13H2,1H3,(H,23,26)
InChIKeyDGRJNSPAMWIOQW-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.06
Rot. Bonds8

About 4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide

4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide (PubChem CID 38022224) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide
PubChem CID38022224
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1
InChIInChI=1S/C22H26N2O5/c1-2-29-19-5-3-16(4-6-19)20(25)7-8-21(26)23-18-9-12-24(13-10-18)22(27)17-11-14-28-15-17/h3-6,11,14-15,18H,2,7-10,12-13H2,1H3,(H,23,26)
InChIKeyDGRJNSPAMWIOQW-UHFFFAOYSA-N
XLogP3.06
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 16613595
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 112804103
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 112804072
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552056
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 94810319
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(2-methylpropoxy)propanamide
CID 46451709
3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112838965
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 49074485
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 112834506
2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108561343
5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide
CID 47882723
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide (CID 38022224) is 4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide?
The InChIKey is DGRJNSPAMWIOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-2-29-19-5-3-16(4-6-19)20(25)7-8-21(26)23-18-9-12-24(13-10-18)22(27)17-11-14-28-15-17/h3-6,11,14-15,18H,2,7-10,12-13H2,1H3,(H,23,26).
What are the key properties of 4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide has a molecular weight of 398.46 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide is sourced from PubChem (CID 38022224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).