1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea

C16H26N4O2 — CID 74248002

IUPAC1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea
SMILESCOCCN(C(=O)Nc1cncc(C)c1)C1CCN(C)CC1
InChIInChI=1S/C16H26N4O2/c1-13-10-14(12-17-11-13)18-16(21)20(8-9-22-3)15-4-6-19(2)7-5-15/h10-12,15H,4-9H2,1-3H3,(H,18,21)
InChIKeyHGNJDSFETWRIHU-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.96
Rot. Bonds5

About 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea

1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea (PubChem CID 74248002) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea
PubChem CID74248002
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea
SMILESCOCCN(C(=O)Nc1cncc(C)c1)C1CCN(C)CC1
InChIInChI=1S/C16H26N4O2/c1-13-10-14(12-17-11-13)18-16(21)20(8-9-22-3)15-4-6-19(2)7-5-15/h10-12,15H,4-9H2,1-3H3,(H,18,21)
InChIKeyHGNJDSFETWRIHU-UHFFFAOYSA-N
XLogP1.96
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 118765088
4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452845
5-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine
CID 107584900
3-(1,5-dimethylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea
CID 108813418
2-methoxy-N-(5-methyl-3-pyridinyl)acetamide
CID 103738953
1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea
CID 61455441
2-cyclobutyl-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 71860746
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methylbenzoic acid
CID 61452697
3-(3-bromophenyl)-1-(1,1-dioxothiolan-3-yl)-1-(2-methoxyethyl)urea
CID 108870165
ethane;N-(5-methyl-3-pyridinyl)cyclopropanecarboxamide
CID 144888872
ethyl 4-[(3,5-dimethylphenyl)carbamothioyl-(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 46372350
1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea
CID 86803950

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea (CID 74248002) is 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea is COCCN(C(=O)Nc1cncc(C)c1)C1CCN(C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea?
The InChIKey is HGNJDSFETWRIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13-10-14(12-17-11-13)18-16(21)20(8-9-22-3)15-4-6-19(2)7-5-15/h10-12,15H,4-9H2,1-3H3,(H,18,21).
What are the key properties of 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea?
1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea has a molecular weight of 306.41 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea is sourced from PubChem (CID 74248002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).