1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea

C18H26N6O — CID 94196829

IUPAC1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1cccn1)NC(=O)NCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C18H26N6O/c1-15(14-24-11-5-8-21-24)22-18(25)20-13-16-6-7-17(19-12-16)23-9-3-2-4-10-23/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H2,20,22,25)/t15-/m1/s1
InChIKeyXUUWDWPRSWLBLQ-OAHLLOKOSA-N
MW342.45 g/mol
LogP2.16
Rot. Bonds6

About 1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea

1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (PubChem CID 94196829) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
PubChem CID94196829
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1cccn1)NC(=O)NCc1ccc(N2CCCCC2)nc1
InChIInChI=1S/C18H26N6O/c1-15(14-24-11-5-8-21-24)22-18(25)20-13-16-6-7-17(19-12-16)23-9-3-2-4-10-23/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H2,20,22,25)/t15-/m1/s1
InChIKeyXUUWDWPRSWLBLQ-OAHLLOKOSA-N
XLogP2.16
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea with MolForge

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Related Compounds

1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 94029232
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 94172337
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 94164669
1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94101958
1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94206278
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111504542
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110892395
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-benzhydrylurea
CID 60546666
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 71894772
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea
CID 86876888

Frequently Asked Questions

What is the IUPAC name of 1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea (CID 94196829) is 1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is C[C@H](Cn1cccn1)NC(=O)NCc1ccc(N2CCCCC2)nc1.
What is the InChIKey of 1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
The InChIKey is XUUWDWPRSWLBLQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N6O/c1-15(14-24-11-5-8-21-24)22-18(25)20-13-16-6-7-17(19-12-16)23-9-3-2-4-10-23/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H2,20,22,25)/t15-/m1/s1.
What are the key properties of 1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea?
1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea has a molecular weight of 342.45 g/mol, XLogP of 2.16, 6 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)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 94196829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).