1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea

C21H28N4O — CID 55739819

IUPAC1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
SMILESCC1CCN(c2ccc(CNC(=O)NCCc3ccccc3)cn2)CC1
InChIInChI=1S/C21H28N4O/c1-17-10-13-25(14-11-17)20-8-7-19(15-23-20)16-24-21(26)22-12-9-18-5-3-2-4-6-18/h2-8,15,17H,9-14,16H2,1H3,(H2,22,24,26)
InChIKeyOTUUFNQIMMELNJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.36
Rot. Bonds6

About 1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea

1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea (PubChem CID 55739819) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
PubChem CID55739819
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
SMILESCC1CCN(c2ccc(CNC(=O)NCCc3ccccc3)cn2)CC1
InChIInChI=1S/C21H28N4O/c1-17-10-13-25(14-11-17)20-8-7-19(15-23-20)16-24-21(26)22-12-9-18-5-3-2-4-6-18/h2-8,15,17H,9-14,16H2,1H3,(H2,22,24,26)
InChIKeyOTUUFNQIMMELNJ-UHFFFAOYSA-N
XLogP3.36
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 55747213
1-(4-hydroxy-2,2-dimethylbutyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 111504532
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109113164
1-benzyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55750017
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55749921
1-[2-(4-chlorophenyl)ethyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 86992830
1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 55794785
2-methyl-1-(2-phenylethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111135667
(2R)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-2-carboxamide
CID 119846204
2-(3,4-dimethylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 55746761
2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109250857

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea (CID 55739819) is 1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea is CC1CCN(c2ccc(CNC(=O)NCCc3ccccc3)cn2)CC1.
What is the InChIKey of 1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea?
The InChIKey is OTUUFNQIMMELNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-17-10-13-25(14-11-17)20-8-7-19(15-23-20)16-24-21(26)22-12-9-18-5-3-2-4-6-18/h2-8,15,17H,9-14,16H2,1H3,(H2,22,24,26).
What are the key properties of 1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea?
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea has a molecular weight of 352.48 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 55739819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).