4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide

C15H23F2N5O — CID 120643054

IUPAC4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N5O/c1-22-14(19-12(21-22)10-4-8-18-9-5-10)20-13(23)11-2-6-15(16,17)7-3-11/h10-11,18H,2-9H2,1H3,(H,19,20,21,23)
InChIKeyCJHAMLWPLFLZQA-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.05
Rot. Bonds3

About 4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide

4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide (PubChem CID 120643054) has the molecular formula C15H23F2N5O and a molecular weight of 327.38 g/mol. Its IUPAC name is 4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide
PubChem CID120643054
Molecular FormulaC15H23F2N5O
Molecular Weight327.38 g/mol
Exact Mass327.19
IUPAC Name4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C15H23F2N5O/c1-22-14(19-12(21-22)10-4-8-18-9-5-10)20-13(23)11-2-6-15(16,17)7-3-11/h10-11,18H,2-9H2,1H3,(H,19,20,21,23)
InChIKeyCJHAMLWPLFLZQA-UHFFFAOYSA-N
XLogP2.05
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carboxamide
CID 128903679
N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 75498911
N-(4,5-dimethyl-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 75503904
4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 75505744
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 86789701
3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride
CID 119675873
3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 119675874
3-piperidin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride
CID 119675885
3-piperidin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 119675886
3-piperidin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide;hydrochloride
CID 120140534
3-piperidin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 120140535
4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120643053

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide (CID 120643054) is 4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide is Cn1nc(C2CCNCC2)nc1NC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide?
The InChIKey is CJHAMLWPLFLZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N5O/c1-22-14(19-12(21-22)10-4-8-18-9-5-10)20-13(23)11-2-6-15(16,17)7-3-11/h10-11,18H,2-9H2,1H3,(H,19,20,21,23).
What are the key properties of 4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide?
4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 120643054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).