1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea

C13H25N3O2S — CID 115583639

IUPAC1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea
SMILESCOCCCNC(=S)NCCC(=O)N1CCCCC1
InChIInChI=1S/C13H25N3O2S/c1-18-11-5-7-14-13(19)15-8-6-12(17)16-9-3-2-4-10-16/h2-11H2,1H3,(H2,14,15,19)
InChIKeyZLABRZTXZPWBLB-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.89
Rot. Bonds7

About 1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea

1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea (PubChem CID 115583639) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea
PubChem CID115583639
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea
SMILESCOCCCNC(=S)NCCC(=O)N1CCCCC1
InChIInChI=1S/C13H25N3O2S/c1-18-11-5-7-14-13(19)15-8-6-12(17)16-9-3-2-4-10-16/h2-11H2,1H3,(H2,14,15,19)
InChIKeyZLABRZTXZPWBLB-UHFFFAOYSA-N
XLogP0.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(1-methoxypropan-2-yl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea
CID 115583638
1-(2-methoxyethyl)-3-(2-oxo-2-piperidin-1-ylethyl)thiourea
CID 113224018
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
2-methoxy-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 115581606
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432469
N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide
CID 113218411
1-ethyl-2-(2-methoxyethyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 110941086
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
6-(3-methoxypropylcarbamothioylamino)hexanoic acid
CID 4174298
2-(3-methoxypropylcarbamothioylamino)acetamide
CID 115605893
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 107905705

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea?
The IUPAC name of 1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea (CID 115583639) is 1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea?
The canonical SMILES for 1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea is COCCCNC(=S)NCCC(=O)N1CCCCC1.
What is the InChIKey of 1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea?
The InChIKey is ZLABRZTXZPWBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-18-11-5-7-14-13(19)15-8-6-12(17)16-9-3-2-4-10-16/h2-11H2,1H3,(H2,14,15,19).
What are the key properties of 1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea?
1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea has a molecular weight of 287.43 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(3-oxo-3-piperidin-1-ylpropyl)thiourea is sourced from PubChem (CID 115583639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).