1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea

C21H28N4O3 — CID 86947728

IUPAC1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
SMILESCc1ccc(Oc2ccc(NC(=O)NCC3CCN(CCO)CC3)cc2)nc1
InChIInChI=1S/C21H28N4O3/c1-16-2-7-20(22-14-16)28-19-5-3-18(4-6-19)24-21(27)23-15-17-8-10-25(11-9-17)12-13-26/h2-7,14,17,26H,8-13,15H2,1H3,(H2,23,24,27)
InChIKeyKNGMAJCTJLBJAF-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.01
Rot. Bonds7

About 1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea

1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea (PubChem CID 86947728) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
PubChem CID86947728
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
SMILESCc1ccc(Oc2ccc(NC(=O)NCC3CCN(CCO)CC3)cc2)nc1
InChIInChI=1S/C21H28N4O3/c1-16-2-7-20(22-14-16)28-19-5-3-18(4-6-19)24-21(27)23-15-17-8-10-25(11-9-17)12-13-26/h2-7,14,17,26H,8-13,15H2,1H3,(H2,23,24,27)
InChIKeyKNGMAJCTJLBJAF-UHFFFAOYSA-N
XLogP3.01
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea with MolForge

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Related Compounds

1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 75440822
1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 97255743
(2R)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-6-oxopiperidine-2-carboxamide
CID 146122029
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea
CID 121109156
1-(4-ethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108693
1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 94734823
1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide
CID 86947008
4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide
CID 86974702
1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea
CID 108903057
1-(4-methylphenyl)-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 47455465
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 52517058

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea?
The IUPAC name of 1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea (CID 86947728) is 1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea.
What is the SMILES notation for 1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea?
The canonical SMILES for 1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea is Cc1ccc(Oc2ccc(NC(=O)NCC3CCN(CCO)CC3)cc2)nc1.
What is the InChIKey of 1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea?
The InChIKey is KNGMAJCTJLBJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-16-2-7-20(22-14-16)28-19-5-3-18(4-6-19)24-21(27)23-15-17-8-10-25(11-9-17)12-13-26/h2-7,14,17,26H,8-13,15H2,1H3,(H2,23,24,27).
What are the key properties of 1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea?
1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea has a molecular weight of 384.48 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea is sourced from PubChem (CID 86947728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).