1-(1-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea

C17H32N4O2 — CID 71849526

IUPAC1-(1-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea
SMILESCCCN1CCC(CNC(=O)NC2CCN(C(=O)CC)C2)CC1
InChIInChI=1S/C17H32N4O2/c1-3-8-20-9-5-14(6-10-20)12-18-17(23)19-15-7-11-21(13-15)16(22)4-2/h14-15H,3-13H2,1-2H3,(H2,18,19,23)
InChIKeyHGFCKDZOBDZKFP-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.42
Rot. Bonds6

About 1-(1-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea

1-(1-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea (PubChem CID 71849526) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(1-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea
PubChem CID71849526
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name1-(1-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea
SMILESCCCN1CCC(CNC(=O)NC2CCN(C(=O)CC)C2)CC1
InChIInChI=1S/C17H32N4O2/c1-3-8-20-9-5-14(6-10-20)12-18-17(23)19-15-7-11-21(13-15)16(22)4-2/h14-15H,3-13H2,1-2H3,(H2,18,19,23)
InChIKeyHGFCKDZOBDZKFP-UHFFFAOYSA-N
XLogP1.42
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]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-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-(1-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea (CID 71849526) is 1-(1-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(1-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-(1-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea is CCCN1CCC(CNC(=O)NC2CCN(C(=O)CC)C2)CC1.
What is the InChIKey of 1-(1-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea?
The InChIKey is HGFCKDZOBDZKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-3-8-20-9-5-14(6-10-20)12-18-17(23)19-15-7-11-21(13-15)16(22)4-2/h14-15H,3-13H2,1-2H3,(H2,18,19,23).
What are the key properties of 1-(1-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea?
1-(1-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea has a molecular weight of 324.47 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propanoylpyrrolidin-3-yl)-3-[(1-propylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 71849526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).