1-(6-piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea

C17H24N6O — CID 51082016

IUPAC1-(6-piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)Nc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C17H24N6O/c1-14(13-23-11-5-8-19-23)20-17(24)21-15-6-7-16(18-12-15)22-9-3-2-4-10-22/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H2,20,21,24)
InChIKeyGTRBSIKPYPGCGE-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.48
Rot. Bonds5

About 1-(6-piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea

1-(6-piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea (PubChem CID 51082016) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(6-piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(6-piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
PubChem CID51082016
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-(6-piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)Nc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C17H24N6O/c1-14(13-23-11-5-8-19-23)20-17(24)21-15-6-7-16(18-12-15)22-9-3-2-4-10-22/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H2,20,21,24)
InChIKeyGTRBSIKPYPGCGE-UHFFFAOYSA-N
XLogP2.48
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-(6-piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea (CID 51082016) is 1-(6-piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(6-piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-(6-piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea is CC(Cn1cccn1)NC(=O)Nc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 1-(6-piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The InChIKey is GTRBSIKPYPGCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-14(13-23-11-5-8-19-23)20-17(24)21-15-6-7-16(18-12-15)22-9-3-2-4-10-22/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H2,20,21,24).
What are the key properties of 1-(6-piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea?
1-(6-piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea has a molecular weight of 328.42 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 51082016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).