N-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C16H20F3N3O — CID 56822405

IUPACN-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H20F3N3O/c17-16(18,19)13-4-1-5-14(21-13)22-8-2-3-12(10-22)15(23)20-9-11-6-7-11/h1,4-5,11-12H,2-3,6-10H2,(H,20,23)
InChIKeyJMDCBLJMPSZTKW-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.84
Rot. Bonds4

About N-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 56822405) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID56822405
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC NameN-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C16H20F3N3O/c17-16(18,19)13-4-1-5-14(21-13)22-8-2-3-12(10-22)15(23)20-9-11-6-7-11/h1,4-5,11-12H,2-3,6-10H2,(H,20,23)
InChIKeyJMDCBLJMPSZTKW-UHFFFAOYSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 56822405) is N-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is O=C(NCC1CC1)C1CCCN(c2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is JMDCBLJMPSZTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O/c17-16(18,19)13-4-1-5-14(21-13)22-8-2-3-12(10-22)15(23)20-9-11-6-7-11/h1,4-5,11-12H,2-3,6-10H2,(H,20,23).
What are the key properties of N-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 56822405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).