1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea

C23H32N4O — CID 125447292

IUPAC1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea
SMILESCc1ccc([C@H](CNC(=O)N(C)Cc2ccccn2)N2CCC(C)CC2)cc1
InChIInChI=1S/C23H32N4O/c1-18-7-9-20(10-8-18)22(27-14-11-19(2)12-15-27)16-25-23(28)26(3)17-21-6-4-5-13-24-21/h4-10,13,19,22H,11-12,14-17H2,1-3H3,(H,25,28)/t22-/m0/s1
InChIKeyYQGZPLSOTZRVET-QFIPXVFZSA-N
MW380.54 g/mol
LogP4.00
Rot. Bonds6

About 1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea

1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea (PubChem CID 125447292) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea
PubChem CID125447292
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea
SMILESCc1ccc([C@H](CNC(=O)N(C)Cc2ccccn2)N2CCC(C)CC2)cc1
InChIInChI=1S/C23H32N4O/c1-18-7-9-20(10-8-18)22(27-14-11-19(2)12-15-27)16-25-23(28)26(3)17-21-6-4-5-13-24-21/h4-10,13,19,22H,11-12,14-17H2,1-3H3,(H,25,28)/t22-/m0/s1
InChIKeyYQGZPLSOTZRVET-QFIPXVFZSA-N
XLogP4.00
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)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

1-methyl-3-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 125447291
1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(pyridin-2-ylmethyl)urea
CID 86841659
1-methyl-3-[(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(1,2-oxazol-3-ylmethyl)urea
CID 125438725
1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea
CID 86841958
2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide
CID 118779332
2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55105026
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 86856304
1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
CID 95178018
3-methyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223176
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide
CID 60552065
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442
1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea
CID 119045826

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea (CID 125447292) is 1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea is Cc1ccc([C@H](CNC(=O)N(C)Cc2ccccn2)N2CCC(C)CC2)cc1.
What is the InChIKey of 1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea?
The InChIKey is YQGZPLSOTZRVET-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H32N4O/c1-18-7-9-20(10-8-18)22(27-14-11-19(2)12-15-27)16-25-23(28)26(3)17-21-6-4-5-13-24-21/h4-10,13,19,22H,11-12,14-17H2,1-3H3,(H,25,28)/t22-/m0/s1.
What are the key properties of 1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea?
1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea has a molecular weight of 380.54 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 125447292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).