1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea

C23H31N3O — CID 23609193

IUPAC1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea
SMILESCCc1ccccc1NC(=O)NCC1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C23H31N3O/c1-3-21-9-4-5-10-22(21)25-23(27)24-16-19-11-13-26(14-12-19)17-20-8-6-7-18(2)15-20/h4-10,15,19H,3,11-14,16-17H2,1-2H3,(H2,24,25,27)
InChIKeySHIKWAYEQKKJGL-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.59
Rot. Bonds6

About 1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea

1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea (PubChem CID 23609193) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea
PubChem CID23609193
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea
SMILESCCc1ccccc1NC(=O)NCC1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C23H31N3O/c1-3-21-9-4-5-10-22(21)25-23(27)24-16-19-11-13-26(14-12-19)17-20-8-6-7-18(2)15-20/h4-10,15,19H,3,11-14,16-17H2,1-2H3,(H2,24,25,27)
InChIKeySHIKWAYEQKKJGL-UHFFFAOYSA-N
XLogP4.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-1-oxoisoquinolin-4-yl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 20910212
1-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 23609187
1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea
CID 23609271
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
1-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-ethylphenyl)urea
CID 22430384
N-(2-ethylphenyl)-2-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 24678044
1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609182
1-(2,4-dimethylphenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609275
N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 67821615
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896062
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
CID 17221703

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea (CID 23609193) is 1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea is CCc1ccccc1NC(=O)NCC1CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of 1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea?
The InChIKey is SHIKWAYEQKKJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-3-21-9-4-5-10-22(21)25-23(27)24-16-19-11-13-26(14-12-19)17-20-8-6-7-18(2)15-20/h4-10,15,19H,3,11-14,16-17H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea?
1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea has a molecular weight of 365.52 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea is sourced from PubChem (CID 23609193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).