1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea

C17H31N5O — CID 47069469

IUPAC1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
SMILESCC(CNC(=O)NCC(C)(C)N1CCCCC1)Cn1cccn1
InChIInChI=1S/C17H31N5O/c1-15(13-22-11-7-8-20-22)12-18-16(23)19-14-17(2,3)21-9-5-4-6-10-21/h7-8,11,15H,4-6,9-10,12-14H2,1-3H3,(H2,18,19,23)
InChIKeyPSIRGNZSOBIGJZ-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.08
Rot. Bonds7

About 1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea

1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea (PubChem CID 47069469) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
PubChem CID47069469
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC Name1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
SMILESCC(CNC(=O)NCC(C)(C)N1CCCCC1)Cn1cccn1
InChIInChI=1S/C17H31N5O/c1-15(13-22-11-7-8-20-22)12-18-16(23)19-14-17(2,3)21-9-5-4-6-10-21/h7-8,11,15H,4-6,9-10,12-14H2,1-3H3,(H2,18,19,23)
InChIKeyPSIRGNZSOBIGJZ-UHFFFAOYSA-N
XLogP2.08
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
The IUPAC name of 1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea (CID 47069469) is 1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea.
What is the SMILES notation for 1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
The canonical SMILES for 1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea is CC(CNC(=O)NCC(C)(C)N1CCCCC1)Cn1cccn1.
What is the InChIKey of 1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
The InChIKey is PSIRGNZSOBIGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-15(13-22-11-7-8-20-22)12-18-16(23)19-14-17(2,3)21-9-5-4-6-10-21/h7-8,11,15H,4-6,9-10,12-14H2,1-3H3,(H2,18,19,23).
What are the key properties of 1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea?
1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea has a molecular weight of 321.47 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea is sourced from PubChem (CID 47069469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).