1-(2-methyl-6-oxopiperidin-4-yl)-3-(1-phenylethyl)urea

C15H21N3O2 — CID 571725

IUPAC1-(2-methyl-6-oxopiperidin-4-yl)-3-(1-phenylethyl)urea
SMILESCC1CC(NC(=O)NC(C)c2ccccc2)CC(=O)N1
InChIInChI=1S/C15H21N3O2/c1-10-8-13(9-14(19)16-10)18-15(20)17-11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyLPQQUOMYWCBKQB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.71
Rot. Bonds3

About 1-(2-methyl-6-oxopiperidin-4-yl)-3-(1-phenylethyl)urea

1-(2-methyl-6-oxopiperidin-4-yl)-3-(1-phenylethyl)urea (PubChem CID 571725) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2-methyl-6-oxopiperidin-4-yl)-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-(2-methyl-6-oxopiperidin-4-yl)-3-(1-phenylethyl)urea
PubChem CID571725
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2-methyl-6-oxopiperidin-4-yl)-3-(1-phenylethyl)urea
SMILESCC1CC(NC(=O)NC(C)c2ccccc2)CC(=O)N1
InChIInChI=1S/C15H21N3O2/c1-10-8-13(9-14(19)16-10)18-15(20)17-11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKeyLPQQUOMYWCBKQB-UHFFFAOYSA-N
XLogP1.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-oxopiperidin-4-yl)-3-(1-phenylethyl)urea?
The IUPAC name of 1-(2-methyl-6-oxopiperidin-4-yl)-3-(1-phenylethyl)urea (CID 571725) is 1-(2-methyl-6-oxopiperidin-4-yl)-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-(2-methyl-6-oxopiperidin-4-yl)-3-(1-phenylethyl)urea?
The canonical SMILES for 1-(2-methyl-6-oxopiperidin-4-yl)-3-(1-phenylethyl)urea is CC1CC(NC(=O)NC(C)c2ccccc2)CC(=O)N1.
What is the InChIKey of 1-(2-methyl-6-oxopiperidin-4-yl)-3-(1-phenylethyl)urea?
The InChIKey is LPQQUOMYWCBKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-8-13(9-14(19)16-10)18-15(20)17-11(2)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,16,19)(H2,17,18,20).
What are the key properties of 1-(2-methyl-6-oxopiperidin-4-yl)-3-(1-phenylethyl)urea?
1-(2-methyl-6-oxopiperidin-4-yl)-3-(1-phenylethyl)urea has a molecular weight of 275.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-oxopiperidin-4-yl)-3-(1-phenylethyl)urea is sourced from PubChem (CID 571725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).