1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(1-methylpiperidin-3-yl)urea

C14H27N3O2 — CID 71915126

IUPAC1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(1-methylpiperidin-3-yl)urea
SMILESCOCCC1(CNC(=O)NC2CCCN(C)C2)CC1
InChIInChI=1S/C14H27N3O2/c1-17-8-3-4-12(10-17)16-13(18)15-11-14(5-6-14)7-9-19-2/h12H,3-11H2,1-2H3,(H2,15,16,18)
InChIKeyJBRHFEQRHWWSBW-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.20
Rot. Bonds6

About 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(1-methylpiperidin-3-yl)urea

1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(1-methylpiperidin-3-yl)urea (PubChem CID 71915126) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(1-methylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(1-methylpiperidin-3-yl)urea
PubChem CID71915126
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(1-methylpiperidin-3-yl)urea
SMILESCOCCC1(CNC(=O)NC2CCCN(C)C2)CC1
InChIInChI=1S/C14H27N3O2/c1-17-8-3-4-12(10-17)16-13(18)15-11-14(5-6-14)7-9-19-2/h12H,3-11H2,1-2H3,(H2,15,16,18)
InChIKeyJBRHFEQRHWWSBW-UHFFFAOYSA-N
XLogP1.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(1-methylpiperidin-3-yl)urea?
The IUPAC name of 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(1-methylpiperidin-3-yl)urea (CID 71915126) is 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(1-methylpiperidin-3-yl)urea.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(1-methylpiperidin-3-yl)urea?
The canonical SMILES for 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(1-methylpiperidin-3-yl)urea is COCCC1(CNC(=O)NC2CCCN(C)C2)CC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(1-methylpiperidin-3-yl)urea?
The InChIKey is JBRHFEQRHWWSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-17-8-3-4-12(10-17)16-13(18)15-11-14(5-6-14)7-9-19-2/h12H,3-11H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(1-methylpiperidin-3-yl)urea?
1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(1-methylpiperidin-3-yl)urea has a molecular weight of 269.39 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(1-methylpiperidin-3-yl)urea is sourced from PubChem (CID 71915126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).