1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide

C14H16F2N6O — CID 167950050

IUPAC1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESNC(=O)c1cn(C2CCN(Cc3c(F)cncc3F)CC2)nn1
InChIInChI=1S/C14H16F2N6O/c15-11-5-18-6-12(16)10(11)7-21-3-1-9(2-4-21)22-8-13(14(17)23)19-20-22/h5-6,8-9H,1-4,7H2,(H2,17,23)
InChIKeyLYBCIKHDABVDFI-UHFFFAOYSA-N
MW322.32 g/mol
LogP0.89
Rot. Bonds4

About 1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide

1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide (PubChem CID 167950050) has the molecular formula C14H16F2N6O and a molecular weight of 322.32 g/mol. Its IUPAC name is 1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
PubChem CID167950050
Molecular FormulaC14H16F2N6O
Molecular Weight322.32 g/mol
Exact Mass322.14
IUPAC Name1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESNC(=O)c1cn(C2CCN(Cc3c(F)cncc3F)CC2)nn1
InChIInChI=1S/C14H16F2N6O/c15-11-5-18-6-12(16)10(11)7-21-3-1-9(2-4-21)22-8-13(14(17)23)19-20-22/h5-6,8-9H,1-4,7H2,(H2,17,23)
InChIKeyLYBCIKHDABVDFI-UHFFFAOYSA-N
XLogP0.89
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]triazole-4-carboxylate;hydrochloride
CID 120905160
[1-(1-ethylpiperidin-4-yl)triazol-4-yl]-pyrimidin-5-ylmethanone
CID 170985678
1-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]triazole-4-carboxamide
CID 154789313
N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26399029
1-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-N,N-diethyltriazole-4-carboxamide
CID 25326216
1-[1-[(2-chloro-6-fluorophenyl)methyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79311302
1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide
CID 135077480
ethyl 1-(1-methylpiperidin-4-yl)triazole-4-carboxylate
CID 58493124
4-(4-carbamoyltriazol-1-yl)-N-[(5-chlorothiophen-2-yl)methyl]piperidine-1-carboxamide
CID 126826858
N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26404892
[1-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42398197
N,N-diethyl-1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42432934

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of 1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide (CID 167950050) is 1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for 1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide is NC(=O)c1cn(C2CCN(Cc3c(F)cncc3F)CC2)nn1.
What is the InChIKey of 1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is LYBCIKHDABVDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N6O/c15-11-5-18-6-12(16)10(11)7-21-3-1-9(2-4-21)22-8-13(14(17)23)19-20-22/h5-6,8-9H,1-4,7H2,(H2,17,23).
What are the key properties of 1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 167950050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).