1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea

C15H23N3S — CID 9095149

IUPAC1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea
SMILESCCN1CCC(NC(=S)NCc2ccccc2)CC1
InChIInChI=1S/C15H23N3S/c1-2-18-10-8-14(9-11-18)17-15(19)16-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,16,17,19)
InChIKeyKWIMNHYSVSLRGS-UHFFFAOYSA-N
MW277.44 g/mol
LogP2.13
Rot. Bonds4

About 1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea

1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea (PubChem CID 9095149) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea.

Molecular Properties

Compound Name1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea
PubChem CID9095149
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea
SMILESCCN1CCC(NC(=S)NCc2ccccc2)CC1
InChIInChI=1S/C15H23N3S/c1-2-18-10-8-14(9-11-18)17-15(19)16-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,16,17,19)
InChIKeyKWIMNHYSVSLRGS-UHFFFAOYSA-N
XLogP2.13
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-(1-propan-2-ylpiperidin-1-ium-4-yl)thiourea
CID 7995890
1-(2-chlorophenyl)-3-(1-ethylpiperidin-4-yl)thiourea
CID 17282493
N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide
CID 65073911
N-[(1-benzylpiperidin-4-yl)carbamothioyl]propanamide
CID 17176578
1-(1-ethylpiperidin-4-yl)-3-(2-methylpropyl)thiourea
CID 17264003
N-(1-ethylpiperidin-4-yl)-4-phenylbutanamide
CID 17250229
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
1-benzyl-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 7924746
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
1-benzyl-3-[(1R,2R)-2-hydroxycyclohexyl]thiourea
CID 40622519
1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea
CID 115583628
1-benzyl-3-[(1R,2S)-2-hydroxycyclohexyl]thiourea
CID 40622518

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea?
The IUPAC name of 1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea (CID 9095149) is 1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea.
What is the SMILES notation for 1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea?
The canonical SMILES for 1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea is CCN1CCC(NC(=S)NCc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea?
The InChIKey is KWIMNHYSVSLRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-2-18-10-8-14(9-11-18)17-15(19)16-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,16,17,19).
What are the key properties of 1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea?
1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea has a molecular weight of 277.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-ethylpiperidin-4-yl)thiourea is sourced from PubChem (CID 9095149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).