(2S)-1-(4,4-difluorocyclohexanecarbonyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide

C19H22F5N3O2 — CID 46872495

IUPAC(2S)-1-(4,4-difluorocyclohexanecarbonyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1CCCCN1C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C19H22F5N3O2/c20-18(21)8-6-12(7-9-18)17(29)27-10-2-1-3-14(27)16(28)26-15-5-4-13(11-25-15)19(22,23)24/h4-5,11-12,14H,1-3,6-10H2,(H,25,26,28)/t14-/m0/s1
InChIKeyHSKUGUYPZUJQCA-AWEZNQCLSA-N
MW419.39 g/mol
LogP4.25
Rot. Bonds3

About (2S)-1-(4,4-difluorocyclohexanecarbonyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide

(2S)-1-(4,4-difluorocyclohexanecarbonyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide (PubChem CID 46872495) has the molecular formula C19H22F5N3O2 and a molecular weight of 419.39 g/mol. Its IUPAC name is (2S)-1-(4,4-difluorocyclohexanecarbonyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4,4-difluorocyclohexanecarbonyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide
PubChem CID46872495
Molecular FormulaC19H22F5N3O2
Molecular Weight419.39 g/mol
Exact Mass419.16
IUPAC Name(2S)-1-(4,4-difluorocyclohexanecarbonyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1CCCCN1C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C19H22F5N3O2/c20-18(21)8-6-12(7-9-18)17(29)27-10-2-1-3-14(27)16(28)26-15-5-4-13(11-25-15)19(22,23)24/h4-5,11-12,14H,1-3,6-10H2,(H,25,26,28)/t14-/m0/s1
InChIKeyHSKUGUYPZUJQCA-AWEZNQCLSA-N
XLogP4.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4,4-difluorocyclohexanecarbonyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(4,4-difluorocyclohexanecarbonyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide (CID 46872495) is (2S)-1-(4,4-difluorocyclohexanecarbonyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4,4-difluorocyclohexanecarbonyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4,4-difluorocyclohexanecarbonyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cn1)[C@@H]1CCCCN1C(=O)C1CCC(F)(F)CC1.
What is the InChIKey of (2S)-1-(4,4-difluorocyclohexanecarbonyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide?
The InChIKey is HSKUGUYPZUJQCA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22F5N3O2/c20-18(21)8-6-12(7-9-18)17(29)27-10-2-1-3-14(27)16(28)26-15-5-4-13(11-25-15)19(22,23)24/h4-5,11-12,14H,1-3,6-10H2,(H,25,26,28)/t14-/m0/s1.
What are the key properties of (2S)-1-(4,4-difluorocyclohexanecarbonyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide?
(2S)-1-(4,4-difluorocyclohexanecarbonyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide has a molecular weight of 419.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4,4-difluorocyclohexanecarbonyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-2-carboxamide is sourced from PubChem (CID 46872495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).