1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea

C23H31N3O — CID 23609271

IUPAC1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea
SMILESCc1ccc(C)c(CN2CCC(CNC(=O)Nc3ccccc3C)CC2)c1
InChIInChI=1S/C23H31N3O/c1-17-8-9-18(2)21(14-17)16-26-12-10-20(11-13-26)15-24-23(27)25-22-7-5-4-6-19(22)3/h4-9,14,20H,10-13,15-16H2,1-3H3,(H2,24,25,27)
InChIKeyDEWFZYHGKQDNNO-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.65
Rot. Bonds5

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

1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea (PubChem CID 23609271) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea
PubChem CID23609271
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea
SMILESCc1ccc(C)c(CN2CCC(CNC(=O)Nc3ccccc3C)CC2)c1
InChIInChI=1S/C23H31N3O/c1-17-8-9-18(2)21(14-17)16-26-12-10-20(11-13-26)15-24-23(27)25-22-7-5-4-6-19(22)3/h4-9,14,20H,10-13,15-16H2,1-3H3,(H2,24,25,27)
InChIKeyDEWFZYHGKQDNNO-UHFFFAOYSA-N
XLogP4.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609275
1-[(4-methylphenyl)methyl]-3-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609242
1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609193
1-(3,4-dimethylphenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 22430495
1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609182
(2R)-N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 92688671
1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(2-methylphenyl)urea
CID 20951256
(2R)-N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 92688478
1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 15989563
(2R)-N-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688628
N-[[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxybenzamide
CID 56707945
1-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(2-methylphenyl)urea
CID 95157772

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea (CID 23609271) is 1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea is Cc1ccc(C)c(CN2CCC(CNC(=O)Nc3ccccc3C)CC2)c1.
What is the InChIKey of 1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea?
The InChIKey is DEWFZYHGKQDNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-17-8-9-18(2)21(14-17)16-26-12-10-20(11-13-26)15-24-23(27)25-22-7-5-4-6-19(22)3/h4-9,14,20H,10-13,15-16H2,1-3H3,(H2,24,25,27).
What are the key properties of 1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea?
1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea has a molecular weight of 365.52 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 23609271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).