1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea

C20H40N4O2 — CID 78888754

IUPAC1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCC(C)CC(CNC(=O)NCCCN1CCCCC1C)N1CCOCC1
InChIInChI=1S/C20H40N4O2/c1-17(2)15-19(24-11-13-26-14-12-24)16-22-20(25)21-8-6-10-23-9-5-4-7-18(23)3/h17-19H,4-16H2,1-3H3,(H2,21,22,25)
InChIKeyPUHUUBNHJWLCHN-UHFFFAOYSA-N
MW368.57 g/mol
LogP2.30
Rot. Bonds9

About 1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea

1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea (PubChem CID 78888754) has the molecular formula C20H40N4O2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
PubChem CID78888754
Molecular FormulaC20H40N4O2
Molecular Weight368.57 g/mol
Exact Mass368.32
IUPAC Name1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCC(C)CC(CNC(=O)NCCCN1CCCCC1C)N1CCOCC1
InChIInChI=1S/C20H40N4O2/c1-17(2)15-19(24-11-13-26-14-12-24)16-22-20(25)21-8-6-10-23-9-5-4-7-18(23)3/h17-19H,4-16H2,1-3H3,(H2,21,22,25)
InChIKeyPUHUUBNHJWLCHN-UHFFFAOYSA-N
XLogP2.30
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea (CID 78888754) is 1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea is CC(C)CC(CNC(=O)NCCCN1CCCCC1C)N1CCOCC1.
What is the InChIKey of 1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The InChIKey is PUHUUBNHJWLCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O2/c1-17(2)15-19(24-11-13-26-14-12-24)16-22-20(25)21-8-6-10-23-9-5-4-7-18(23)3/h17-19H,4-16H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea has a molecular weight of 368.57 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-morpholin-4-ylpentyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 78888754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).