3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea

C22H30N4O2 — CID 86864451

IUPAC3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCOc1ccc(CN2CCC(CNC(=O)N(C)Cc3ccccn3)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-25(17-20-5-3-4-12-23-20)22(27)24-15-18-10-13-26(14-11-18)16-19-6-8-21(28-2)9-7-19/h3-9,12,18H,10-11,13-17H2,1-2H3,(H,24,27)
InChIKeyFKVAFPLVLUIJKR-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.14
Rot. Bonds7

About 3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea

3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea (PubChem CID 86864451) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
PubChem CID86864451
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCOc1ccc(CN2CCC(CNC(=O)N(C)Cc3ccccn3)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-25(17-20-5-3-4-12-23-20)22(27)24-15-18-10-13-26(14-11-18)16-19-6-8-21(28-2)9-7-19/h3-9,12,18H,10-11,13-17H2,1-2H3,(H,24,27)
InChIKeyFKVAFPLVLUIJKR-UHFFFAOYSA-N
XLogP3.14
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 48964602
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-phenylacetamide
CID 60599952
2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111084544
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1-benzylpiperidin-4-yl)methyl]-1-methylurea
CID 47873977
N'-[(4-methoxyphenyl)methyl]-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887107
N-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207185
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60586835
(4S)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4H-1,3-benzodioxine-4-carboxamide
CID 51498165

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea (CID 86864451) is 3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea is COc1ccc(CN2CCC(CNC(=O)N(C)Cc3ccccn3)CC2)cc1.
What is the InChIKey of 3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea?
The InChIKey is FKVAFPLVLUIJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-25(17-20-5-3-4-12-23-20)22(27)24-15-18-10-13-26(14-11-18)16-19-6-8-21(28-2)9-7-19/h3-9,12,18H,10-11,13-17H2,1-2H3,(H,24,27).
What are the key properties of 3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea?
3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea has a molecular weight of 382.51 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methyl-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 86864451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).