1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea

C15H29N3O3 — CID 125417649

IUPAC1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea
SMILESCCCNC(=O)N[C@H]1CO[C@@H](CN2CCC(C)CC2)[C@@H]1O
InChIInChI=1S/C15H29N3O3/c1-3-6-16-15(20)17-12-10-21-13(14(12)19)9-18-7-4-11(2)5-8-18/h11-14,19H,3-10H2,1-2H3,(H2,16,17,20)/t12-,13-,14+/m0/s1
InChIKeyPSRFYCAYKFUZOE-MELADBBJSA-N
MW299.42 g/mol
LogP0.56
Rot. Bonds5

About 1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea

1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea (PubChem CID 125417649) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea.

Molecular Properties

Compound Name1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea
PubChem CID125417649
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea
SMILESCCCNC(=O)N[C@H]1CO[C@@H](CN2CCC(C)CC2)[C@@H]1O
InChIInChI=1S/C15H29N3O3/c1-3-6-16-15(20)17-12-10-21-13(14(12)19)9-18-7-4-11(2)5-8-18/h11-14,19H,3-10H2,1-2H3,(H2,16,17,20)/t12-,13-,14+/m0/s1
InChIKeyPSRFYCAYKFUZOE-MELADBBJSA-N
XLogP0.56
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea 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-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea?
The IUPAC name of 1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea (CID 125417649) is 1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea.
What is the SMILES notation for 1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea?
The canonical SMILES for 1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea is CCCNC(=O)N[C@H]1CO[C@@H](CN2CCC(C)CC2)[C@@H]1O.
What is the InChIKey of 1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea?
The InChIKey is PSRFYCAYKFUZOE-MELADBBJSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-3-6-16-15(20)17-12-10-21-13(14(12)19)9-18-7-4-11(2)5-8-18/h11-14,19H,3-10H2,1-2H3,(H2,16,17,20)/t12-,13-,14+/m0/s1.
What are the key properties of 1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea?
1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea has a molecular weight of 299.42 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-3-propylurea is sourced from PubChem (CID 125417649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).