1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea

C19H31N3O3 — CID 91812785

IUPAC1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea
SMILESCc1cc(CN2CCC(CNC(=O)NC3CCOCC3)CC2)c(C)o1
InChIInChI=1S/C19H31N3O3/c1-14-11-17(15(2)25-14)13-22-7-3-16(4-8-22)12-20-19(23)21-18-5-9-24-10-6-18/h11,16,18H,3-10,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyPXEFOFRKIIMCGV-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.59
Rot. Bonds5

About 1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea

1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea (PubChem CID 91812785) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea
PubChem CID91812785
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea
SMILESCc1cc(CN2CCC(CNC(=O)NC3CCOCC3)CC2)c(C)o1
InChIInChI=1S/C19H31N3O3/c1-14-11-17(15(2)25-14)13-22-7-3-16(4-8-22)12-20-19(23)21-18-5-9-24-10-6-18/h11,16,18H,3-10,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyPXEFOFRKIIMCGV-UHFFFAOYSA-N
XLogP2.59
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea with MolForge

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Related Compounds

1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(2-methoxyethyl)urea
CID 121057629
N'-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 121056458
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 121057623
1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113321980
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 121126883
4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 102736546
1-(1-acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea
CID 25072677
1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 86895951
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide
CID 121056475
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431669
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea (CID 91812785) is 1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea is Cc1cc(CN2CCC(CNC(=O)NC3CCOCC3)CC2)c(C)o1.
What is the InChIKey of 1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea?
The InChIKey is PXEFOFRKIIMCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-14-11-17(15(2)25-14)13-22-7-3-16(4-8-22)12-20-19(23)21-18-5-9-24-10-6-18/h11,16,18H,3-10,12-13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea?
1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea has a molecular weight of 349.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 91812785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).