1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea

C20H31N5O2 — CID 74241621

IUPAC1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea
SMILESCCC(CC)n1nccc1NC(=O)NCC1CCCN(Cc2ccco2)C1
InChIInChI=1S/C20H31N5O2/c1-3-17(4-2)25-19(9-10-22-25)23-20(26)21-13-16-7-5-11-24(14-16)15-18-8-6-12-27-18/h6,8-10,12,16-17H,3-5,7,11,13-15H2,1-2H3,(H2,21,23,26)
InChIKeyMCNFHNHWJCFDHL-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.87
Rot. Bonds8

About 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea

1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea (PubChem CID 74241621) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea
PubChem CID74241621
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea
SMILESCCC(CC)n1nccc1NC(=O)NCC1CCCN(Cc2ccco2)C1
InChIInChI=1S/C20H31N5O2/c1-3-17(4-2)25-19(9-10-22-25)23-20(26)21-13-16-7-5-11-24(14-16)15-18-8-6-12-27-18/h6,8-10,12,16-17H,3-5,7,11,13-15H2,1-2H3,(H2,21,23,26)
InChIKeyMCNFHNHWJCFDHL-UHFFFAOYSA-N
XLogP3.87
TPSA75.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea with MolForge

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Related Compounds

1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea
CID 56741397
N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 95200289
1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 95214322
N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 95218334
1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea
CID 99839457
N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95191321
1-(furan-2-ylmethyl)-3-(2-methylpropyl)piperidine
CID 169242230
1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 52521591
(3R)-1-(furan-2-ylmethyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 125437302
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 95223631
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine
CID 124842615

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea?
The IUPAC name of 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea (CID 74241621) is 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea?
The canonical SMILES for 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea is CCC(CC)n1nccc1NC(=O)NCC1CCCN(Cc2ccco2)C1.
What is the InChIKey of 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea?
The InChIKey is MCNFHNHWJCFDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-3-17(4-2)25-19(9-10-22-25)23-20(26)21-13-16-7-5-11-24(14-16)15-18-8-6-12-27-18/h6,8-10,12,16-17H,3-5,7,11,13-15H2,1-2H3,(H2,21,23,26).
What are the key properties of 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea?
1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea has a molecular weight of 373.50 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea is sourced from PubChem (CID 74241621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).