1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea

C21H26N4O4 — CID 121108698

IUPAC1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
SMILESCOc1ccc(NC(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c(OC)c1
InChIInChI=1S/C21H26N4O4/c1-28-17-3-4-18(19(13-17)29-2)24-21(27)23-14-15-7-11-25(12-8-15)20(26)16-5-9-22-10-6-16/h3-6,9-10,13,15H,7-8,11-12,14H2,1-2H3,(H2,23,24,27)
InChIKeyWHOFQWSPMWUGLL-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.77
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea

1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea (PubChem CID 121108698) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
PubChem CID121108698
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
SMILESCOc1ccc(NC(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c(OC)c1
InChIInChI=1S/C21H26N4O4/c1-28-17-3-4-18(19(13-17)29-2)24-21(27)23-14-15-7-11-25(12-8-15)20(26)16-5-9-22-10-6-16/h3-6,9-10,13,15H,7-8,11-12,14H2,1-2H3,(H2,23,24,27)
InChIKeyWHOFQWSPMWUGLL-UHFFFAOYSA-N
XLogP2.77
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea with MolForge

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Related Compounds

1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108687
2-bromo-5-methoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 71786488
1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108693
N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887109
N'-(2-methoxy-5-methylphenyl)-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
CID 121107606
N'-(2,5-dimethoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90521021
1-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90521505
N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081759
2-(cyclopropylmethylcarbamoylamino)-5-methoxybenzoic acid
CID 113305078
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108676
N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide
CID 72897212

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea (CID 121108698) is 1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea is COc1ccc(NC(=O)NCC2CCN(C(=O)c3ccncc3)CC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea?
The InChIKey is WHOFQWSPMWUGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-28-17-3-4-18(19(13-17)29-2)24-21(27)23-14-15-7-11-25(12-8-15)20(26)16-5-9-22-10-6-16/h3-6,9-10,13,15H,7-8,11-12,14H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea?
1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea has a molecular weight of 398.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 121108698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).