1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[2-(oxolan-2-yl)ethyl]urea

C15H29N3O2 — CID 56825717

IUPAC1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[2-(oxolan-2-yl)ethyl]urea
SMILESCN1CCC(CN(C)C(=O)NCCC2CCCO2)CC1
InChIInChI=1S/C15H29N3O2/c1-17-9-6-13(7-10-17)12-18(2)15(19)16-8-5-14-4-3-11-20-14/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyIUVHPKBMKLQOEQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.54
Rot. Bonds5

About 1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[2-(oxolan-2-yl)ethyl]urea

1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[2-(oxolan-2-yl)ethyl]urea (PubChem CID 56825717) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[2-(oxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[2-(oxolan-2-yl)ethyl]urea
PubChem CID56825717
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[2-(oxolan-2-yl)ethyl]urea
SMILESCN1CCC(CN(C)C(=O)NCCC2CCCO2)CC1
InChIInChI=1S/C15H29N3O2/c1-17-9-6-13(7-10-17)12-18(2)15(19)16-8-5-14-4-3-11-20-14/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyIUVHPKBMKLQOEQ-UHFFFAOYSA-N
XLogP1.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[2-(oxolan-2-yl)ethyl]urea?
The IUPAC name of 1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[2-(oxolan-2-yl)ethyl]urea (CID 56825717) is 1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[2-(oxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[2-(oxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[2-(oxolan-2-yl)ethyl]urea is CN1CCC(CN(C)C(=O)NCCC2CCCO2)CC1.
What is the InChIKey of 1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[2-(oxolan-2-yl)ethyl]urea?
The InChIKey is IUVHPKBMKLQOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-17-9-6-13(7-10-17)12-18(2)15(19)16-8-5-14-4-3-11-20-14/h13-14H,3-12H2,1-2H3,(H,16,19).
What are the key properties of 1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[2-(oxolan-2-yl)ethyl]urea?
1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[2-(oxolan-2-yl)ethyl]urea has a molecular weight of 283.42 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-[2-(oxolan-2-yl)ethyl]urea is sourced from PubChem (CID 56825717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).