N-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide

C19H26N4O — CID 167866370

IUPACN-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide
SMILESCC(CNC(=O)c1ccc(C2CCCNC2)cc1)Cn1cccn1
InChIInChI=1S/C19H26N4O/c1-15(14-23-11-3-10-22-23)12-21-19(24)17-7-5-16(6-8-17)18-4-2-9-20-13-18/h3,5-8,10-11,15,18,20H,2,4,9,12-14H2,1H3,(H,21,24)
InChIKeySUONWJIKVYMHRM-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.42
Rot. Bonds6

About N-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide

N-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide (PubChem CID 167866370) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide
PubChem CID167866370
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide
SMILESCC(CNC(=O)c1ccc(C2CCCNC2)cc1)Cn1cccn1
InChIInChI=1S/C19H26N4O/c1-15(14-23-11-3-10-22-23)12-21-19(24)17-7-5-16(6-8-17)18-4-2-9-20-13-18/h3,5-8,10-11,15,18,20H,2,4,9,12-14H2,1H3,(H,21,24)
InChIKeySUONWJIKVYMHRM-UHFFFAOYSA-N
XLogP2.42
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide?
The IUPAC name of N-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide (CID 167866370) is N-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide.
What is the SMILES notation for N-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide?
The canonical SMILES for N-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide is CC(CNC(=O)c1ccc(C2CCCNC2)cc1)Cn1cccn1.
What is the InChIKey of N-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide?
The InChIKey is SUONWJIKVYMHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(14-23-11-3-10-22-23)12-21-19(24)17-7-5-16(6-8-17)18-4-2-9-20-13-18/h3,5-8,10-11,15,18,20H,2,4,9,12-14H2,1H3,(H,21,24).
What are the key properties of N-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide?
N-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide has a molecular weight of 326.44 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrazol-1-ylpropyl)-4-piperidin-3-ylbenzamide is sourced from PubChem (CID 167866370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).