4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide

C11H17F2N5O — CID 122562845

IUPAC4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCn1ncnc1CCNC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H17F2N5O/c1-17-9(15-8-16-17)2-5-14-10(19)18-6-3-11(12,13)4-7-18/h8H,2-7H2,1H3,(H,14,19)
InChIKeyILTGIVOUTMSHKM-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.80
Rot. Bonds3

About 4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide

4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide (PubChem CID 122562845) has the molecular formula C11H17F2N5O and a molecular weight of 273.29 g/mol. Its IUPAC name is 4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
PubChem CID122562845
Molecular FormulaC11H17F2N5O
Molecular Weight273.29 g/mol
Exact Mass273.14
IUPAC Name4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCn1ncnc1CCNC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H17F2N5O/c1-17-9(15-8-16-17)2-5-14-10(19)18-6-3-11(12,13)4-7-18/h8H,2-7H2,1H3,(H,14,19)
InChIKeyILTGIVOUTMSHKM-UHFFFAOYSA-N
XLogP0.80
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 45236235
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 47252889
1-[3-(4-Ethylpiperazin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53503175
1-[3-(4-Methylpiperidin-1-yl)propyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71893532
4-(diethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 72153018
N-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide
CID 46987979
4,4,4-trifluoro-N-[2-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]butanamide
CID 118778679
(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 164640594
4-[3-(Trifluoromethyl)-1,2,4-triazol-1-yl]piperidine
CID 84037116
4-[3-(Difluoromethyl)-1,2,4-triazol-1-yl]piperidine
CID 174285600
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43783924
N-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoropiperidine-1-carboxamide
CID 46987521

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide (CID 122562845) is 4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide is Cn1ncnc1CCNC(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is ILTGIVOUTMSHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N5O/c1-17-9(15-8-16-17)2-5-14-10(19)18-6-3-11(12,13)4-7-18/h8H,2-7H2,1H3,(H,14,19).
What are the key properties of 4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 122562845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).