1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea

C17H28N4O — CID 119045826

IUPAC1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea
SMILESCc1ccc(CN(C)C(=O)NCCN2CCC(C)CC2)nc1
InChIInChI=1S/C17H28N4O/c1-14-6-9-21(10-7-14)11-8-18-17(22)20(3)13-16-5-4-15(2)12-19-16/h4-5,12,14H,6-11,13H2,1-3H3,(H,18,22)
InChIKeyYLDBPPZIRNICQI-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.26
Rot. Bonds5

About 1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea

1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea (PubChem CID 119045826) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea
PubChem CID119045826
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea
SMILESCc1ccc(CN(C)C(=O)NCCN2CCC(C)CC2)nc1
InChIInChI=1S/C17H28N4O/c1-14-6-9-21(10-7-14)11-8-18-17(22)20(3)13-16-5-4-15(2)12-19-16/h4-5,12,14H,6-11,13H2,1-3H3,(H,18,22)
InChIKeyYLDBPPZIRNICQI-UHFFFAOYSA-N
XLogP2.26
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-[(5-methyl-2-pyridinyl)methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 119045989
2-(5-amino-2-pyridinyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 120642533
1-methyl-3-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 125447291
1-methyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 125447292
1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-(4-methylpiperidin-1-yl)butyl]urea
CID 78892593
3-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-methyl-1-[(5-methyl-2-pyridinyl)methyl]urea
CID 119045926
1-[(3-hydroxy-4-methoxyphenyl)methyl]-1-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 86826853
2-(aminomethyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 114326261
(2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 94119495
1-methyl-3-(5-methyl-2-pyridinyl)-1-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]urea
CID 122138801
1-methyl-3-[2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]-1-(thiophen-2-ylmethyl)urea
CID 126439177
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61266440

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea?
The IUPAC name of 1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea (CID 119045826) is 1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea is Cc1ccc(CN(C)C(=O)NCCN2CCC(C)CC2)nc1.
What is the InChIKey of 1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea?
The InChIKey is YLDBPPZIRNICQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14-6-9-21(10-7-14)11-8-18-17(22)20(3)13-16-5-4-15(2)12-19-16/h4-5,12,14H,6-11,13H2,1-3H3,(H,18,22).
What are the key properties of 1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea?
1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea has a molecular weight of 304.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]-1-[(5-methyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 119045826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).