1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea

C15H27N3O2 — CID 141152218

IUPAC1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea
SMILESO=C(NCC1CCOCC1)N(CC1CCNC1)C1CC1
InChIInChI=1S/C15H27N3O2/c19-15(17-10-12-4-7-20-8-5-12)18(14-1-2-14)11-13-3-6-16-9-13/h12-14,16H,1-11H2,(H,17,19)
InChIKeyMHZSNBFYFVPYPV-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.20
Rot. Bonds5

About 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea

1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea (PubChem CID 141152218) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea
PubChem CID141152218
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea
SMILESO=C(NCC1CCOCC1)N(CC1CCNC1)C1CC1
InChIInChI=1S/C15H27N3O2/c19-15(17-10-12-4-7-20-8-5-12)18(14-1-2-14)11-13-3-6-16-9-13/h12-14,16H,1-11H2,(H,17,19)
InChIKeyMHZSNBFYFVPYPV-UHFFFAOYSA-N
XLogP1.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea (CID 141152218) is 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea is O=C(NCC1CCOCC1)N(CC1CCNC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea?
The InChIKey is MHZSNBFYFVPYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c19-15(17-10-12-4-7-20-8-5-12)18(14-1-2-14)11-13-3-6-16-9-13/h12-14,16H,1-11H2,(H,17,19).
What are the key properties of 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea?
1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea has a molecular weight of 281.40 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(oxan-4-ylmethyl)-1-(pyrrolidin-3-ylmethyl)urea is sourced from PubChem (CID 141152218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).