1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea

C20H24N6O2 — CID 72872687

IUPAC1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
SMILESCn1cnnc1-c1ccc(NC(=O)NC2CCN(Cc3ccco3)CC2)cc1
InChIInChI=1S/C20H24N6O2/c1-25-14-21-24-19(25)15-4-6-16(7-5-15)22-20(27)23-17-8-10-26(11-9-17)13-18-3-2-12-28-18/h2-7,12,14,17H,8-11,13H2,1H3,(H2,22,23,27)
InChIKeyWMFPQRGNNOMSTM-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.86
Rot. Bonds5

About 1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea

1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea (PubChem CID 72872687) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
PubChem CID72872687
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
SMILESCn1cnnc1-c1ccc(NC(=O)NC2CCN(Cc3ccco3)CC2)cc1
InChIInChI=1S/C20H24N6O2/c1-25-14-21-24-19(25)15-4-6-16(7-5-15)22-20(27)23-17-8-10-26(11-9-17)13-18-3-2-12-28-18/h2-7,12,14,17H,8-11,13H2,1H3,(H2,22,23,27)
InChIKeyWMFPQRGNNOMSTM-UHFFFAOYSA-N
XLogP2.86
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea with MolForge

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Related Compounds

1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea
CID 74230882
1-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-[(3R)-1-oxaspiro[4.5]decan-3-yl]urea
CID 125165960
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
N-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 63084928
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30724914
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide
CID 77093957
oxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium
CID 140907563
formic acid;N-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-(3-methyl-4-pyridinyl)benzamide
CID 154904499
1-(4-ethoxyphenyl)-3-[(1S,5S)-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1467063
N-cyclohexyl-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852151
N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286471
1-[(1S,5R)-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3-(4-methylsulfanylphenyl)urea
CID 1460946

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?
The IUPAC name of 1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea (CID 72872687) is 1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea is Cn1cnnc1-c1ccc(NC(=O)NC2CCN(Cc3ccco3)CC2)cc1.
What is the InChIKey of 1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?
The InChIKey is WMFPQRGNNOMSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-25-14-21-24-19(25)15-4-6-16(7-5-15)22-20(27)23-17-8-10-26(11-9-17)13-18-3-2-12-28-18/h2-7,12,14,17H,8-11,13H2,1H3,(H2,22,23,27).
What are the key properties of 1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea?
1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea has a molecular weight of 380.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea is sourced from PubChem (CID 72872687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).