1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea

C17H29N3O3 — CID 102555049

IUPAC1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea
SMILESCC1CC(NC(=O)NC2CCC3(CC2)OCCO3)CN1C1CC1
InChIInChI=1S/C17H29N3O3/c1-12-10-14(11-20(12)15-2-3-15)19-16(21)18-13-4-6-17(7-5-13)22-8-9-23-17/h12-15H,2-11H2,1H3,(H2,18,19,21)
InChIKeySFASIHSFSHVXJZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.60
Rot. Bonds3

About 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea

1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea (PubChem CID 102555049) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea.

Molecular Properties

Compound Name1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea
PubChem CID102555049
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea
SMILESCC1CC(NC(=O)NC2CCC3(CC2)OCCO3)CN1C1CC1
InChIInChI=1S/C17H29N3O3/c1-12-10-14(11-20(12)15-2-3-15)19-16(21)18-13-4-6-17(7-5-13)22-8-9-23-17/h12-15H,2-11H2,1H3,(H2,18,19,21)
InChIKeySFASIHSFSHVXJZ-UHFFFAOYSA-N
XLogP1.60
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)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-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea?
The IUPAC name of 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea (CID 102555049) is 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea.
What is the SMILES notation for 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea?
The canonical SMILES for 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea is CC1CC(NC(=O)NC2CCC3(CC2)OCCO3)CN1C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea?
The InChIKey is SFASIHSFSHVXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-12-10-14(11-20(12)15-2-3-15)19-16(21)18-13-4-6-17(7-5-13)22-8-9-23-17/h12-15H,2-11H2,1H3,(H2,18,19,21).
What are the key properties of 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea?
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea has a molecular weight of 323.44 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea is sourced from PubChem (CID 102555049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).