1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea

C16H24N4O3 — CID 53175086

IUPAC1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea
SMILESCCNC(=O)Nc1ccc(OCC(=O)N2CCCC(C)C2)nc1
InChIInChI=1S/C16H24N4O3/c1-3-17-16(22)19-13-6-7-14(18-9-13)23-11-15(21)20-8-4-5-12(2)10-20/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H2,17,19,22)
InChIKeyHBDKGULYMKARHM-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.86
Rot. Bonds5

About 1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea

1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea (PubChem CID 53175086) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea
PubChem CID53175086
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea
SMILESCCNC(=O)Nc1ccc(OCC(=O)N2CCCC(C)C2)nc1
InChIInChI=1S/C16H24N4O3/c1-3-17-16(22)19-13-6-7-14(18-9-13)23-11-15(21)20-8-4-5-12(2)10-20/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H2,17,19,22)
InChIKeyHBDKGULYMKARHM-UHFFFAOYSA-N
XLogP1.86
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea with MolForge

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Related Compounds

2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 95971278
1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122084895
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-acetamidobenzoate
CID 4652070
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
ethyl N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]carbamate
CID 113015658
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
methyl 4-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 60624261
N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952329
2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7283918
1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 95875447

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea?
The IUPAC name of 1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea (CID 53175086) is 1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea.
What is the SMILES notation for 1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea?
The canonical SMILES for 1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea is CCNC(=O)Nc1ccc(OCC(=O)N2CCCC(C)C2)nc1.
What is the InChIKey of 1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea?
The InChIKey is HBDKGULYMKARHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-17-16(22)19-13-6-7-14(18-9-13)23-11-15(21)20-8-4-5-12(2)10-20/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H2,17,19,22).
What are the key properties of 1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea?
1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea has a molecular weight of 320.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea is sourced from PubChem (CID 53175086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).