1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea

C15H21N3O2 — CID 96566181

IUPAC1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
SMILESCCNC(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O
InChIInChI=1S/C15H21N3O2/c1-3-16-15(20)17-13-5-4-10-18(14(13)19)12-8-6-11(2)7-9-12/h6-9,13H,3-5,10H2,1-2H3,(H2,16,17,20)/t13-/m1/s1
InChIKeyKLANWZYAXYFZBM-CYBMUJFWSA-N
MW275.35 g/mol
LogP1.81
Rot. Bonds3

About 1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea

1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea (PubChem CID 96566181) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
PubChem CID96566181
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
SMILESCCNC(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O
InChIInChI=1S/C15H21N3O2/c1-3-16-15(20)17-13-5-4-10-18(14(13)19)12-8-6-11(2)7-9-12/h6-9,13H,3-5,10H2,1-2H3,(H2,16,17,20)/t13-/m1/s1
InChIKeyKLANWZYAXYFZBM-CYBMUJFWSA-N
XLogP1.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea?
The IUPAC name of 1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea (CID 96566181) is 1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea.
What is the SMILES notation for 1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea?
The canonical SMILES for 1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea is CCNC(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O.
What is the InChIKey of 1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea?
The InChIKey is KLANWZYAXYFZBM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-16-15(20)17-13-5-4-10-18(14(13)19)12-8-6-11(2)7-9-12/h6-9,13H,3-5,10H2,1-2H3,(H2,16,17,20)/t13-/m1/s1.
What are the key properties of 1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea?
1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea has a molecular weight of 275.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea is sourced from PubChem (CID 96566181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).