N-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide

C17H26F2N4O — CID 128637002

IUPACN-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(C(F)F)CC2)c(C2CCCCC2)n1
InChIInChI=1S/C17H26F2N4O/c1-22-11-14(15(21-22)12-5-3-2-4-6-12)20-17(24)23-9-7-13(8-10-23)16(18)19/h11-13,16H,2-10H2,1H3,(H,20,24)
InChIKeyWXYQEYNQKJDWSV-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.98
Rot. Bonds3

About N-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide

N-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide (PubChem CID 128637002) has the molecular formula C17H26F2N4O and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide
PubChem CID128637002
Molecular FormulaC17H26F2N4O
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC NameN-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(C(F)F)CC2)c(C2CCCCC2)n1
InChIInChI=1S/C17H26F2N4O/c1-22-11-14(15(21-22)12-5-3-2-4-6-12)20-17(24)23-9-7-13(8-10-23)16(18)19/h11-13,16H,2-10H2,1H3,(H,20,24)
InChIKeyWXYQEYNQKJDWSV-UHFFFAOYSA-N
XLogP3.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide (CID 128637002) is N-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide is Cn1cc(NC(=O)N2CCC(C(F)F)CC2)c(C2CCCCC2)n1.
What is the InChIKey of N-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide?
The InChIKey is WXYQEYNQKJDWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N4O/c1-22-11-14(15(21-22)12-5-3-2-4-6-12)20-17(24)23-9-7-13(8-10-23)16(18)19/h11-13,16H,2-10H2,1H3,(H,20,24).
What are the key properties of N-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide?
N-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-1-methylpyrazol-4-yl)-4-(difluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 128637002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).