1-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea

C15H23N3OS — CID 2388269

IUPAC1-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea
SMILESCOCCNC(=S)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H23N3OS/c1-19-12-9-16-15(20)17-13-5-7-14(8-6-13)18-10-3-2-4-11-18/h5-8H,2-4,9-12H2,1H3,(H2,16,17,20)
InChIKeyTZFJAHZSVNAJDB-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.61
Rot. Bonds5

About 1-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea

1-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea (PubChem CID 2388269) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea
PubChem CID2388269
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea
SMILESCOCCNC(=S)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H23N3OS/c1-19-12-9-16-15(20)17-13-5-7-14(8-6-13)18-10-3-2-4-11-18/h5-8H,2-4,9-12H2,1H3,(H2,16,17,20)
InChIKeyTZFJAHZSVNAJDB-UHFFFAOYSA-N
XLogP2.61
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Benzenamine, 4-(4-morpholinyl)-
CID 75655
3-Butyl-1-phenylthiourea
CID 3034183
N'-(2-(Morpholin-4-yl)ethyl)-N-phenylcarbamimidothioic acid
CID 722642
N-phenylpiperidine-1-carbothioamide
CID 698365
N1-[4-(2,6-dimethylmorpholino)phenyl]-2-(2-cyanoethyl)hydrazine-1-carbothioamide
CID 2824632
1-Allyl-3-(4-dimethylamino-phenyl)-thiourea
CID 3108360
N-phenylmorpholine-4-carbothioamide
CID 668271
N-(4-chlorophenyl)-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 841905
N,N-diallyl-N'-phenylthiourea
CID 853783
N-(2-Hydroxypropyl)-N'-phenylthiourea
CID 2759335
1-Phenyl-3-((tetrahydrofuran-2-yl)methyl)thiourea
CID 2867709
N-phenylmorpholine-4-carboxamide
CID 341876

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea (CID 2388269) is 1-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea is COCCNC(=S)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea?
The InChIKey is TZFJAHZSVNAJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-19-12-9-16-15(20)17-13-5-7-14(8-6-13)18-10-3-2-4-11-18/h5-8H,2-4,9-12H2,1H3,(H2,16,17,20).
What are the key properties of 1-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea?
1-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea has a molecular weight of 293.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)thiourea is sourced from PubChem (CID 2388269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).