1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea

C18H27N3O2S — CID 43075806

IUPAC1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea
SMILESO=C(C1CCCCC1)N1CCC(NC(=S)NCc2ccco2)CC1
InChIInChI=1S/C18H27N3O2S/c22-17(14-5-2-1-3-6-14)21-10-8-15(9-11-21)20-18(24)19-13-16-7-4-12-23-16/h4,7,12,14-15H,1-3,5-6,8-11,13H2,(H2,19,20,24)
InChIKeyRTALPMSNZGFJEN-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.82
Rot. Bonds4

About 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea

1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea (PubChem CID 43075806) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea
PubChem CID43075806
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea
SMILESO=C(C1CCCCC1)N1CCC(NC(=S)NCc2ccco2)CC1
InChIInChI=1S/C18H27N3O2S/c22-17(14-5-2-1-3-6-14)21-10-8-15(9-11-21)20-18(24)19-13-16-7-4-12-23-16/h4,7,12,14-15H,1-3,5-6,8-11,13H2,(H2,19,20,24)
InChIKeyRTALPMSNZGFJEN-UHFFFAOYSA-N
XLogP2.82
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.82
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

2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
1-cyclopentyl-3-(furan-2-ylmethylcarbamothioylamino)thiourea
CID 8789325
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 95563646
1-(furan-2-ylmethyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 2954454
N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide
CID 1243044
N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-2-sulfanylideneacetamide
CID 2975846
N-[[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]cyclohexyl]carbamothioyl]furan-2-carboxamide
CID 140557245
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131808
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)thiourea
CID 43075805
2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 42847997
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398
1-[2-(4-chlorophenyl)sulfanylethyl]-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiourea
CID 43075796

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea?
The IUPAC name of 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea (CID 43075806) is 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea is O=C(C1CCCCC1)N1CCC(NC(=S)NCc2ccco2)CC1.
What is the InChIKey of 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea?
The InChIKey is RTALPMSNZGFJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c22-17(14-5-2-1-3-6-14)21-10-8-15(9-11-21)20-18(24)19-13-16-7-4-12-23-16/h4,7,12,14-15H,1-3,5-6,8-11,13H2,(H2,19,20,24).
What are the key properties of 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea?
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea has a molecular weight of 349.50 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 43075806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).