1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea

C19H29N3O2 — CID 71869813

IUPAC1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea
SMILESCCC(Cc1ccc(C)cc1)N(C)C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C19H29N3O2/c1-5-17(12-15-8-6-14(2)7-9-15)22(4)19(24)20-16-10-11-18(23)21(3)13-16/h6-9,16-17H,5,10-13H2,1-4H3,(H,20,24)
InChIKeyDLZMZYFNVFBVHL-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.58
Rot. Bonds5

About 1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea

1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea (PubChem CID 71869813) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea.

Molecular Properties

Compound Name1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea
PubChem CID71869813
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea
SMILESCCC(Cc1ccc(C)cc1)N(C)C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C19H29N3O2/c1-5-17(12-15-8-6-14(2)7-9-15)22(4)19(24)20-16-10-11-18(23)21(3)13-16/h6-9,16-17H,5,10-13H2,1-4H3,(H,20,24)
InChIKeyDLZMZYFNVFBVHL-UHFFFAOYSA-N
XLogP2.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea?
The IUPAC name of 1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea (CID 71869813) is 1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea.
What is the SMILES notation for 1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea?
The canonical SMILES for 1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea is CCC(Cc1ccc(C)cc1)N(C)C(=O)NC1CCC(=O)N(C)C1.
What is the InChIKey of 1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea?
The InChIKey is DLZMZYFNVFBVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-5-17(12-15-8-6-14(2)7-9-15)22(4)19(24)20-16-10-11-18(23)21(3)13-16/h6-9,16-17H,5,10-13H2,1-4H3,(H,20,24).
What are the key properties of 1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea?
1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea has a molecular weight of 331.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)-1-[1-(4-methylphenyl)butan-2-yl]urea is sourced from PubChem (CID 71869813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).