N-(3-cyclopentyl-1-methylpyrazol-5-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide

C17H26F2N4O — CID 122131028

IUPACN-(3-cyclopentyl-1-methylpyrazol-5-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide
SMILESCn1nc(C2CCCC2)cc1NC(=O)C1CCN(CC(F)F)CC1
InChIInChI=1S/C17H26F2N4O/c1-22-16(10-14(21-22)12-4-2-3-5-12)20-17(24)13-6-8-23(9-7-13)11-15(18)19/h10,12-13,15H,2-9,11H2,1H3,(H,20,24)
InChIKeyRLXJVBVLXLMTPY-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.99
Rot. Bonds5

About N-(3-cyclopentyl-1-methylpyrazol-5-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide

N-(3-cyclopentyl-1-methylpyrazol-5-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide (PubChem CID 122131028) has the molecular formula C17H26F2N4O and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(3-cyclopentyl-1-methylpyrazol-5-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-1-methylpyrazol-5-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide
PubChem CID122131028
Molecular FormulaC17H26F2N4O
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC NameN-(3-cyclopentyl-1-methylpyrazol-5-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide
SMILESCn1nc(C2CCCC2)cc1NC(=O)C1CCN(CC(F)F)CC1
InChIInChI=1S/C17H26F2N4O/c1-22-16(10-14(21-22)12-4-2-3-5-12)20-17(24)13-6-8-23(9-7-13)11-15(18)19/h10,12-13,15H,2-9,11H2,1H3,(H,20,24)
InChIKeyRLXJVBVLXLMTPY-UHFFFAOYSA-N
XLogP2.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1-methylpyrazol-5-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-cyclopentyl-1-methylpyrazol-5-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide (CID 122131028) is N-(3-cyclopentyl-1-methylpyrazol-5-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyclopentyl-1-methylpyrazol-5-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-cyclopentyl-1-methylpyrazol-5-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide is Cn1nc(C2CCCC2)cc1NC(=O)C1CCN(CC(F)F)CC1.
What is the InChIKey of N-(3-cyclopentyl-1-methylpyrazol-5-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide?
The InChIKey is RLXJVBVLXLMTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N4O/c1-22-16(10-14(21-22)12-4-2-3-5-12)20-17(24)13-6-8-23(9-7-13)11-15(18)19/h10,12-13,15H,2-9,11H2,1H3,(H,20,24).
What are the key properties of N-(3-cyclopentyl-1-methylpyrazol-5-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide?
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-1-methylpyrazol-5-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 122131028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).