1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea

C16H25N3S — CID 2970670

IUPAC1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea
SMILESCC(NC(=S)NCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25N3S/c1-14(15-8-4-2-5-9-15)18-16(20)17-10-13-19-11-6-3-7-12-19/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H2,17,18,20)
InChIKeyGENACJVSBSVXJY-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.70
Rot. Bonds5

About 1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea

1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea (PubChem CID 2970670) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea.

Molecular Properties

Compound Name1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea
PubChem CID2970670
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea
SMILESCC(NC(=S)NCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C16H25N3S/c1-14(15-8-4-2-5-9-15)18-16(20)17-10-13-19-11-6-3-7-12-19/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H2,17,18,20)
InChIKeyGENACJVSBSVXJY-UHFFFAOYSA-N
XLogP2.70
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[[(1-phenylethylamino)-(2-piperidin-1-ylethylamino)methylidene]amino]acetamide
CID 111545909
1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea
CID 1252297
1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea
CID 8656313
1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
CID 19649785
N-[(1S)-1-phenylethyl]piperidine-1-carbothioamide
CID 40554094
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469
1-[3-(4-methylpyrazol-1-yl)propyl]-3-(1-phenylethyl)thiourea
CID 19572963
1-(1-phenylethyl)-3-propan-2-ylthiourea
CID 19649780
3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557
1-[2-(1-phenylethylamino)ethyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143176399
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 42269040
1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea
CID 5178694

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea?
The IUPAC name of 1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea (CID 2970670) is 1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea.
What is the SMILES notation for 1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea?
The canonical SMILES for 1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea is CC(NC(=S)NCCN1CCCCC1)c1ccccc1.
What is the InChIKey of 1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea?
The InChIKey is GENACJVSBSVXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-14(15-8-4-2-5-9-15)18-16(20)17-10-13-19-11-6-3-7-12-19/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H2,17,18,20).
What are the key properties of 1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea?
1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea has a molecular weight of 291.46 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea is sourced from PubChem (CID 2970670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).