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

C15H22F3N5O — CID 128818696

IUPACN-piperidin-4-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCNCC1)N1CCCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H22F3N5O/c16-15(17,18)13-5-9-23(21-13)12-2-1-8-22(10-12)14(24)20-11-3-6-19-7-4-11/h5,9,11-12,19H,1-4,6-8,10H2,(H,20,24)
InChIKeyPYZJZBRURHLZGS-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.00
Rot. Bonds2

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

N-piperidin-4-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 128818696) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is N-piperidin-4-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID128818696
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC NameN-piperidin-4-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCNCC1)N1CCCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H22F3N5O/c16-15(17,18)13-5-9-23(21-13)12-2-1-8-22(10-12)14(24)20-11-3-6-19-7-4-11/h5,9,11-12,19H,1-4,6-8,10H2,(H,20,24)
InChIKeyPYZJZBRURHLZGS-UHFFFAOYSA-N
XLogP2.00
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-piperidin-4-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 128818696) is N-piperidin-4-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-piperidin-4-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is O=C(NC1CCNCC1)N1CCCC(n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-piperidin-4-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is PYZJZBRURHLZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O/c16-15(17,18)13-5-9-23(21-13)12-2-1-8-22(10-12)14(24)20-11-3-6-19-7-4-11/h5,9,11-12,19H,1-4,6-8,10H2,(H,20,24).
What are the key properties of N-piperidin-4-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
N-piperidin-4-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 128818696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).