1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea

C19H27N3O3 — CID 136540232

IUPAC1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea
SMILESCC1CCNC(=O)C1NC(=O)NCc1ccccc1OC1CCCC1
InChIInChI=1S/C19H27N3O3/c1-13-10-11-20-18(23)17(13)22-19(24)21-12-14-6-2-5-9-16(14)25-15-7-3-4-8-15/h2,5-6,9,13,15,17H,3-4,7-8,10-12H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyZIIPKZHKZUGGLE-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.33
Rot. Bonds5

About 1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea

1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea (PubChem CID 136540232) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea
PubChem CID136540232
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea
SMILESCC1CCNC(=O)C1NC(=O)NCc1ccccc1OC1CCCC1
InChIInChI=1S/C19H27N3O3/c1-13-10-11-20-18(23)17(13)22-19(24)21-12-14-6-2-5-9-16(14)25-15-7-3-4-8-15/h2,5-6,9,13,15,17H,3-4,7-8,10-12H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyZIIPKZHKZUGGLE-UHFFFAOYSA-N
XLogP2.33
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S,4R)-4-methyl-2-oxopiperidin-3-yl]-3-[(3-methyl-1-phenylpyrazol-4-yl)methyl]urea
CID 99840232
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea
CID 126787197
1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea
CID 136561160
1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea
CID 111428441
N-[(2-cyclobutyloxyphenyl)methyl]-2-(methylamino)acetamide
CID 119796176
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
N-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119714426
1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea
CID 71917097
1-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962948
1-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-[(2-cyclobutyloxyphenyl)methyl]urea
CID 97317387

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea?
The IUPAC name of 1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea (CID 136540232) is 1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea.
What is the SMILES notation for 1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea?
The canonical SMILES for 1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea is CC1CCNC(=O)C1NC(=O)NCc1ccccc1OC1CCCC1.
What is the InChIKey of 1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea?
The InChIKey is ZIIPKZHKZUGGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-10-11-20-18(23)17(13)22-19(24)21-12-14-6-2-5-9-16(14)25-15-7-3-4-8-15/h2,5-6,9,13,15,17H,3-4,7-8,10-12H2,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of 1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea?
1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea has a molecular weight of 345.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methyl-2-oxopiperidin-3-yl)urea is sourced from PubChem (CID 136540232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).