1-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3-(6-morpholin-4-ylpiperidin-3-yl)urea

C19H38N6O2 — CID 176596602

IUPAC1-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3-(6-morpholin-4-ylpiperidin-3-yl)urea
SMILESCC1CCC(NCCCNC(=O)NC2CCC(N3CCOCC3)NC2)NC1
InChIInChI=1S/C19H38N6O2/c1-15-3-5-17(22-13-15)20-7-2-8-21-19(26)24-16-4-6-18(23-14-16)25-9-11-27-12-10-25/h15-18,20,22-23H,2-14H2,1H3,(H2,21,24,26)
InChIKeyGQENRHQPRCDVIU-UHFFFAOYSA-N
MW382.55 g/mol
LogP0.02
Rot. Bonds7

About 1-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3-(6-morpholin-4-ylpiperidin-3-yl)urea

1-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3-(6-morpholin-4-ylpiperidin-3-yl)urea (PubChem CID 176596602) has the molecular formula C19H38N6O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3-(6-morpholin-4-ylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3-(6-morpholin-4-ylpiperidin-3-yl)urea
PubChem CID176596602
Molecular FormulaC19H38N6O2
Molecular Weight382.55 g/mol
Exact Mass382.31
IUPAC Name1-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3-(6-morpholin-4-ylpiperidin-3-yl)urea
SMILESCC1CCC(NCCCNC(=O)NC2CCC(N3CCOCC3)NC2)NC1
InChIInChI=1S/C19H38N6O2/c1-15-3-5-17(22-13-15)20-7-2-8-21-19(26)24-16-4-6-18(23-14-16)25-9-11-27-12-10-25/h15-18,20,22-23H,2-14H2,1H3,(H2,21,24,26)
InChIKeyGQENRHQPRCDVIU-UHFFFAOYSA-N
XLogP0.02
TPSA89.69 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 50.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3-(6-morpholin-4-ylpiperidin-3-yl)urea?
The IUPAC name of 1-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3-(6-morpholin-4-ylpiperidin-3-yl)urea (CID 176596602) is 1-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3-(6-morpholin-4-ylpiperidin-3-yl)urea.
What is the SMILES notation for 1-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3-(6-morpholin-4-ylpiperidin-3-yl)urea?
The canonical SMILES for 1-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3-(6-morpholin-4-ylpiperidin-3-yl)urea is CC1CCC(NCCCNC(=O)NC2CCC(N3CCOCC3)NC2)NC1.
What is the InChIKey of 1-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3-(6-morpholin-4-ylpiperidin-3-yl)urea?
The InChIKey is GQENRHQPRCDVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N6O2/c1-15-3-5-17(22-13-15)20-7-2-8-21-19(26)24-16-4-6-18(23-14-16)25-9-11-27-12-10-25/h15-18,20,22-23H,2-14H2,1H3,(H2,21,24,26).
What are the key properties of 1-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3-(6-morpholin-4-ylpiperidin-3-yl)urea?
1-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3-(6-morpholin-4-ylpiperidin-3-yl)urea has a molecular weight of 382.55 g/mol, XLogP of 0.02, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-methylpiperidin-2-yl)amino]propyl]-3-(6-morpholin-4-ylpiperidin-3-yl)urea is sourced from PubChem (CID 176596602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).