4-phenoxy-N-(piperidine-1-carbothioyl)butanamide

C16H22N2O2S — CID 19188329

IUPAC4-phenoxy-N-(piperidine-1-carbothioyl)butanamide
SMILESO=C(CCCOc1ccccc1)NC(=S)N1CCCCC1
InChIInChI=1S/C16H22N2O2S/c19-15(17-16(21)18-11-5-2-6-12-18)10-7-13-20-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2,(H,17,19,21)
InChIKeyYTUVEBVMFYNCJJ-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.73
Rot. Bonds5

About 4-phenoxy-N-(piperidine-1-carbothioyl)butanamide

4-phenoxy-N-(piperidine-1-carbothioyl)butanamide (PubChem CID 19188329) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-phenoxy-N-(piperidine-1-carbothioyl)butanamide.

Molecular Properties

Compound Name4-phenoxy-N-(piperidine-1-carbothioyl)butanamide
PubChem CID19188329
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name4-phenoxy-N-(piperidine-1-carbothioyl)butanamide
SMILESO=C(CCCOc1ccccc1)NC(=S)N1CCCCC1
InChIInChI=1S/C16H22N2O2S/c19-15(17-16(21)18-11-5-2-6-12-18)10-7-13-20-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2,(H,17,19,21)
InChIKeyYTUVEBVMFYNCJJ-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(azepane-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide
CID 4953016
4-phenoxy-N-[(4-piperidin-1-ylphenyl)carbamothioyl]butanamide
CID 19188430
N-(azepane-1-carbothioyl)-4-(2-phenylethoxy)benzamide
CID 4956874
4-(4-chlorophenoxy)-N-(4-methylpiperidine-1-carbothioyl)butanamide
CID 19188795
N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide
CID 110443436
N-(azepane-1-carbothioyl)-2-(2-chlorophenoxy)acetamide
CID 920702
2-(2-chlorophenoxy)-N-(piperidine-1-carbothioyl)acetamide
CID 920664
N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide
CID 110349075
N-(azepane-1-carbothioyl)-4-heptoxybenzamide
CID 4950908
N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(4-methylphenoxy)butanamide
CID 19188613
S-(4-phenoxybutyl) azepane-1-carbothioate
CID 88729117
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(piperidine-1-carbothioyl)butanamide?
The IUPAC name of 4-phenoxy-N-(piperidine-1-carbothioyl)butanamide (CID 19188329) is 4-phenoxy-N-(piperidine-1-carbothioyl)butanamide.
What is the SMILES notation for 4-phenoxy-N-(piperidine-1-carbothioyl)butanamide?
The canonical SMILES for 4-phenoxy-N-(piperidine-1-carbothioyl)butanamide is O=C(CCCOc1ccccc1)NC(=S)N1CCCCC1.
What is the InChIKey of 4-phenoxy-N-(piperidine-1-carbothioyl)butanamide?
The InChIKey is YTUVEBVMFYNCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-15(17-16(21)18-11-5-2-6-12-18)10-7-13-20-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2,(H,17,19,21).
What are the key properties of 4-phenoxy-N-(piperidine-1-carbothioyl)butanamide?
4-phenoxy-N-(piperidine-1-carbothioyl)butanamide has a molecular weight of 306.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(piperidine-1-carbothioyl)butanamide is sourced from PubChem (CID 19188329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).