N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

C13H18F4N4O — CID 75448755

IUPACN-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESO=C(NCCCF)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H18F4N4O/c14-5-1-6-18-12(22)20-7-2-10(3-8-20)21-9-4-11(19-21)13(15,16)17/h4,9-10H,1-3,5-8H2,(H,18,22)
InChIKeyIOZYHXZIMUVOJD-UHFFFAOYSA-N
MW322.31 g/mol
LogP2.61
Rot. Bonds4

About N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 75448755) has the molecular formula C13H18F4N4O and a molecular weight of 322.31 g/mol. Its IUPAC name is N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID75448755
Molecular FormulaC13H18F4N4O
Molecular Weight322.31 g/mol
Exact Mass322.14
IUPAC NameN-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESO=C(NCCCF)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H18F4N4O/c14-5-1-6-18-12(22)20-7-2-10(3-8-20)21-9-4-11(19-21)13(15,16)17/h4,9-10H,1-3,5-8H2,(H,18,22)
InChIKeyIOZYHXZIMUVOJD-UHFFFAOYSA-N
XLogP2.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 75448755) is N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is O=C(NCCCF)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is IOZYHXZIMUVOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4N4O/c14-5-1-6-18-12(22)20-7-2-10(3-8-20)21-9-4-11(19-21)13(15,16)17/h4,9-10H,1-3,5-8H2,(H,18,22).
What are the key properties of N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 75448755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).