N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide

C10H16FN5O — CID 46987979

IUPACN-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC(F)CC2)nn1C
InChIInChI=1S/C10H16FN5O/c1-7-12-9(14-15(7)2)13-10(17)16-5-3-8(11)4-6-16/h8H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyJPWFCGOPFJFLCS-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.09
Rot. Bonds1

About N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide

N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide (PubChem CID 46987979) has the molecular formula C10H16FN5O and a molecular weight of 241.27 g/mol. Its IUPAC name is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide
PubChem CID46987979
Molecular FormulaC10H16FN5O
Molecular Weight241.27 g/mol
Exact Mass241.13
IUPAC NameN-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCC(F)CC2)nn1C
InChIInChI=1S/C10H16FN5O/c1-7-12-9(14-15(7)2)13-10(17)16-5-3-8(11)4-6-16/h8H,3-6H2,1-2H3,(H,13,14,17)
InChIKeyJPWFCGOPFJFLCS-UHFFFAOYSA-N
XLogP1.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 45236235
3-(dimethylamino)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 46997513
N-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-4-isopropylpiperazine-1-carboxamide
CID 46988661
2-Methyl-5-(piperidin-1-yl)[1,2,4]triazolo[1,5-a][1,3,5]-triazin-7(3h)-one
CID 171118036
2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-methyl-N-(2-piperidin-1-ylethyl)acetamide
CID 46981475
N-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-3,3-difluoropiperidine-1-carboxamide
CID 46987521
N,N-dimethyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 72892623
4,4-difluoro-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 122562845
3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 128641999
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-3,3-difluoropiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 154886821
4-(3,5-Dimethyl-1,2,4-triazol-4-yl)piperidine-1-carboxamide
CID 175949386
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 46984465

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide?
The IUPAC name of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide (CID 46987979) is N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide is Cc1nc(NC(=O)N2CCC(F)CC2)nn1C.
What is the InChIKey of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide?
The InChIKey is JPWFCGOPFJFLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN5O/c1-7-12-9(14-15(7)2)13-10(17)16-5-3-8(11)4-6-16/h8H,3-6H2,1-2H3,(H,13,14,17).
What are the key properties of N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide?
N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide has a molecular weight of 241.27 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-1,2,4-triazol-3-yl)-4-fluoropiperidine-1-carboxamide is sourced from PubChem (CID 46987979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).