N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide

C17H18F2N4O3 — CID 74235398

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCc1cn[nH]c1C1CCN(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C17H18F2N4O3/c1-10-9-20-22-15(10)11-4-6-23(7-5-11)16(24)21-12-2-3-13-14(8-12)26-17(18,19)25-13/h2-3,8-9,11H,4-7H2,1H3,(H,20,22)(H,21,24)
InChIKeyWVPGGCNYXCOYQM-UHFFFAOYSA-N
MW364.35 g/mol
LogP3.45
Rot. Bonds2

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 74235398) has the molecular formula C17H18F2N4O3 and a molecular weight of 364.35 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID74235398
Molecular FormulaC17H18F2N4O3
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCc1cn[nH]c1C1CCN(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C17H18F2N4O3/c1-10-9-20-22-15(10)11-4-6-23(7-5-11)16(24)21-12-2-3-13-14(8-12)26-17(18,19)25-13/h2-3,8-9,11H,4-7H2,1H3,(H,20,22)(H,21,24)
InChIKeyWVPGGCNYXCOYQM-UHFFFAOYSA-N
XLogP3.45
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 74235398) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide is Cc1cn[nH]c1C1CCN(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is WVPGGCNYXCOYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O3/c1-10-9-20-22-15(10)11-4-6-23(7-5-11)16(24)21-12-2-3-13-14(8-12)26-17(18,19)25-13/h2-3,8-9,11H,4-7H2,1H3,(H,20,22)(H,21,24).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 364.35 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 74235398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).