N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide

C20H26N4O — CID 136566223

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide
SMILESCn1nc(CNC(=O)c2ccccc2N2CCCCC2)cc1C1CC1
InChIInChI=1S/C20H26N4O/c1-23-19(15-9-10-15)13-16(22-23)14-21-20(25)17-7-3-4-8-18(17)24-11-5-2-6-12-24/h3-4,7-8,13,15H,2,5-6,9-12,14H2,1H3,(H,21,25)
InChIKeyZQJSTMANQXZOQP-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.22
Rot. Bonds5

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide (PubChem CID 136566223) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide
PubChem CID136566223
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide
SMILESCn1nc(CNC(=O)c2ccccc2N2CCCCC2)cc1C1CC1
InChIInChI=1S/C20H26N4O/c1-23-19(15-9-10-15)13-16(22-23)14-21-20(25)17-7-3-4-8-18(17)24-11-5-2-6-12-24/h3-4,7-8,13,15H,2,5-6,9-12,14H2,1H3,(H,21,25)
InChIKeyZQJSTMANQXZOQP-UHFFFAOYSA-N
XLogP3.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide (CID 136566223) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide is Cn1nc(CNC(=O)c2ccccc2N2CCCCC2)cc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide?
The InChIKey is ZQJSTMANQXZOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23-19(15-9-10-15)13-16(22-23)14-21-20(25)17-7-3-4-8-18(17)24-11-5-2-6-12-24/h3-4,7-8,13,15H,2,5-6,9-12,14H2,1H3,(H,21,25).
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 136566223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).