1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea

C18H21N3O3S — CID 55696964

IUPAC1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C18H21N3O3S/c1-25-16-4-2-3-15(11-16)20-18(23)19-14-5-8-21(9-6-14)17(22)13-7-10-24-12-13/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H2,19,20,23)
InChIKeyWOCRPQHCXLQLAW-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.43
Rot. Bonds4

About 1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea

1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea (PubChem CID 55696964) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea
PubChem CID55696964
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C18H21N3O3S/c1-25-16-4-2-3-15(11-16)20-18(23)19-14-5-8-21(9-6-14)17(22)13-7-10-24-12-13/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H2,19,20,23)
InChIKeyWOCRPQHCXLQLAW-UHFFFAOYSA-N
XLogP3.43
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methylphenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea
CID 78874680
1-cyclododecyl-3-(3-methylsulfanylphenyl)urea
CID 17087586
4-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183412
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078447
2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide
CID 86986489
1-(2-ethoxy-4-fluorophenyl)-3-[1-(furan-3-carbonyl)piperidin-4-yl]urea
CID 55793659
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
furan-3-yl-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
CID 99832210
1-(furan-2-carbonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 17432225
1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51082716
3-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63042817

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea (CID 55696964) is 1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1.
What is the InChIKey of 1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea?
The InChIKey is WOCRPQHCXLQLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-25-16-4-2-3-15(11-16)20-18(23)19-14-5-8-21(9-6-14)17(22)13-7-10-24-12-13/h2-4,7,10-12,14H,5-6,8-9H2,1H3,(H2,19,20,23).
What are the key properties of 1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea?
1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea has a molecular weight of 359.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 55696964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).