1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C18H30N4O — CID 86861324

IUPAC1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC(c1ccccn1)N(C)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H30N4O/c1-13(15-9-7-8-10-19-15)22(6)16(23)20-14-11-17(2,3)21-18(4,5)12-14/h7-10,13-14,21H,11-12H2,1-6H3,(H,20,23)
InChIKeyJMUYCNVEKDLJCS-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.09
Rot. Bonds3

About 1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 86861324) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID86861324
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC(c1ccccn1)N(C)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H30N4O/c1-13(15-9-7-8-10-19-15)22(6)16(23)20-14-11-17(2,3)21-18(4,5)12-14/h7-10,13-14,21H,11-12H2,1-6H3,(H,20,23)
InChIKeyJMUYCNVEKDLJCS-UHFFFAOYSA-N
XLogP3.09
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)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

3-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea
CID 129377916
N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537
(2R)-2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 124590926
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 96555130
1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(1-pyridin-2-ylethyl)urea
CID 86861212
1-methyl-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861444
3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 96516588
3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 95614918
3-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
CID 86867437
3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
CID 65063476
1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425430
1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425498

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 86861324) is 1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC(c1ccccn1)N(C)C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is JMUYCNVEKDLJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-13(15-9-7-8-10-19-15)22(6)16(23)20-14-11-17(2,3)21-18(4,5)12-14/h7-10,13-14,21H,11-12H2,1-6H3,(H,20,23).
What are the key properties of 1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 318.46 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-pyridin-2-ylethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 86861324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).