1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea

C13H25N3O2S — CID 115583638

IUPAC1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea
SMILESCOCC(C)NC(=S)NCCC(=O)N1CCCCC1
InChIInChI=1S/C13H25N3O2S/c1-11(10-18-2)15-13(19)14-7-6-12(17)16-8-4-3-5-9-16/h11H,3-10H2,1-2H3,(H2,14,15,19)
InChIKeyQPXICYWHRFGKHX-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.89
Rot. Bonds6

About 1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea

1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea (PubChem CID 115583638) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea
PubChem CID115583638
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea
SMILESCOCC(C)NC(=S)NCCC(=O)N1CCCCC1
InChIInChI=1S/C13H25N3O2S/c1-11(10-18-2)15-13(19)14-7-6-12(17)16-8-4-3-5-9-16/h11H,3-10H2,1-2H3,(H2,14,15,19)
InChIKeyQPXICYWHRFGKHX-UHFFFAOYSA-N
XLogP0.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea
CID 115583639
methyl 3-(1-methoxypropan-2-ylcarbamothioylamino)propanoate
CID 115577228
3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide
CID 116508069
1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea
CID 113224018
2-methoxy-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 115581606
1-amino-3-(1-methoxypropan-2-yl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 104888393
1-ethyl-3-(1-methoxypropan-2-yl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 111237031
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 107905705
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(2S)-3-methylbutan-2-yl]urea
CID 94820370
(2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103996387
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
1-[(2S)-1-methoxypropan-2-yl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]urea
CID 95284102

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea (CID 115583638) is 1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea is COCC(C)NC(=S)NCCC(=O)N1CCCCC1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea?
The InChIKey is QPXICYWHRFGKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-11(10-18-2)15-13(19)14-7-6-12(17)16-8-4-3-5-9-16/h11H,3-10H2,1-2H3,(H2,14,15,19).
What are the key properties of 1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea?
1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea has a molecular weight of 287.43 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea is sourced from PubChem (CID 115583638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).