4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide

C22H26N2O3S — CID 108552059

IUPAC4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)Cc3cccs3)CC2)cc1
InChIInChI=1S/C22H26N2O3S/c1-16-4-6-17(7-5-16)20(25)8-9-21(26)23-18-10-12-24(13-11-18)22(27)15-19-3-2-14-28-19/h2-7,14,18H,8-13,15H2,1H3,(H,23,26)
InChIKeyBQCUVLHAJFFIRB-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.37
Rot. Bonds7

About 4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide

4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide (PubChem CID 108552059) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide
PubChem CID108552059
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)Cc3cccs3)CC2)cc1
InChIInChI=1S/C22H26N2O3S/c1-16-4-6-17(7-5-16)20(25)8-9-21(26)23-18-10-12-24(13-11-18)22(27)15-19-3-2-14-28-19/h2-7,14,18H,8-13,15H2,1H3,(H,23,26)
InChIKeyBQCUVLHAJFFIRB-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide with MolForge

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Related Compounds

ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
CID 108565657
4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108552078
N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554270
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108548385
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554283
3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 110820695
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556085
3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
CID 108554925
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552056
N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
CID 108560462
3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556176

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide?
The IUPAC name of 4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide (CID 108552059) is 4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide?
The canonical SMILES for 4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide is Cc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)Cc3cccs3)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide?
The InChIKey is BQCUVLHAJFFIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-16-4-6-17(7-5-16)20(25)8-9-21(26)23-18-10-12-24(13-11-18)22(27)15-19-3-2-14-28-19/h2-7,14,18H,8-13,15H2,1H3,(H,23,26).
What are the key properties of 4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide?
4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide has a molecular weight of 398.53 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 108552059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).