1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea

C21H26N4O3 — CID 121108693

IUPAC1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
SMILESCCOc1ccc(NC(=O)NCC2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C21H26N4O3/c1-2-28-19-5-3-18(4-6-19)24-21(27)23-15-16-9-13-25(14-10-16)20(26)17-7-11-22-12-8-17/h3-8,11-12,16H,2,9-10,13-15H2,1H3,(H2,23,24,27)
InChIKeyCGIHODCIRAFZCY-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.15
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea

1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea (PubChem CID 121108693) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
PubChem CID121108693
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
SMILESCCOc1ccc(NC(=O)NCC2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C21H26N4O3/c1-2-28-19-5-3-18(4-6-19)24-21(27)23-15-16-9-13-25(14-10-16)20(26)17-7-11-22-12-8-17/h3-8,11-12,16H,2,9-10,13-15H2,1H3,(H2,23,24,27)
InChIKeyCGIHODCIRAFZCY-UHFFFAOYSA-N
XLogP3.15
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea
CID 121109156
1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108698
1-(4-ethoxyphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]urea
CID 90521691
1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108676
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
1-(2-methoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108687
ethyl [4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methylcarbamoyl]phenyl] carbonate
CID 108930107
N-(4-ethoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54831051
N-(4-ethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103251
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168284
4-propoxy-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121108109

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea (CID 121108693) is 1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea is CCOc1ccc(NC(=O)NCC2CCN(C(=O)c3ccncc3)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea?
The InChIKey is CGIHODCIRAFZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-28-19-5-3-18(4-6-19)24-21(27)23-15-16-9-13-25(14-10-16)20(26)17-7-11-22-12-8-17/h3-8,11-12,16H,2,9-10,13-15H2,1H3,(H2,23,24,27).
What are the key properties of 1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea?
1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea has a molecular weight of 382.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 121108693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).