1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea

C19H34N6O2 — CID 55794069

IUPAC1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
SMILESCC1CCN(CCCNC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1
InChIInChI=1S/C19H34N6O2/c1-16-7-14-23(15-8-16)11-4-9-20-18(26)21-10-5-13-25-19(27)24-12-3-2-6-17(24)22-25/h16H,2-15H2,1H3,(H2,20,21,26)
InChIKeyVHSUOJBWMDXMDH-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.19
Rot. Bonds8

About 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea

1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea (PubChem CID 55794069) has the molecular formula C19H34N6O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
PubChem CID55794069
Molecular FormulaC19H34N6O2
Molecular Weight378.52 g/mol
Exact Mass378.27
IUPAC Name1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
SMILESCC1CCN(CCCNC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1
InChIInChI=1S/C19H34N6O2/c1-16-7-14-23(15-8-16)11-4-9-20-18(26)21-10-5-13-25-19(27)24-12-3-2-6-17(24)22-25/h16H,2-15H2,1H3,(H2,20,21,26)
InChIKeyVHSUOJBWMDXMDH-UHFFFAOYSA-N
XLogP1.19
TPSA84.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea?
The IUPAC name of 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea (CID 55794069) is 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea.
What is the SMILES notation for 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea?
The canonical SMILES for 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea is CC1CCN(CCCNC(=O)NCCCn2nc3n(c2=O)CCCC3)CC1.
What is the InChIKey of 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea?
The InChIKey is VHSUOJBWMDXMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O2/c1-16-7-14-23(15-8-16)11-4-9-20-18(26)21-10-5-13-25-19(27)24-12-3-2-6-17(24)22-25/h16H,2-15H2,1H3,(H2,20,21,26).
What are the key properties of 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea?
1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea has a molecular weight of 378.52 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperidin-1-yl)propyl]-3-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea is sourced from PubChem (CID 55794069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).