4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid

C15H15F2N5O3 — CID 134209263

IUPAC4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid
SMILESO=C(NC1CCNCC1C(=O)O)c1cn(-c2ccc(F)cc2F)nn1
InChIInChI=1S/C15H15F2N5O3/c16-8-1-2-13(10(17)5-8)22-7-12(20-21-22)14(23)19-11-3-4-18-6-9(11)15(24)25/h1-2,5,7,9,11,18H,3-4,6H2,(H,19,23)(H,24,25)
InChIKeyFOSSKZJLBWDCSZ-UHFFFAOYSA-N
MW351.31 g/mol
LogP0.34
Rot. Bonds4

About 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid

4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid (PubChem CID 134209263) has the molecular formula C15H15F2N5O3 and a molecular weight of 351.31 g/mol. Its IUPAC name is 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid
PubChem CID134209263
Molecular FormulaC15H15F2N5O3
Molecular Weight351.31 g/mol
Exact Mass351.11
IUPAC Name4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid
SMILESO=C(NC1CCNCC1C(=O)O)c1cn(-c2ccc(F)cc2F)nn1
InChIInChI=1S/C15H15F2N5O3/c16-8-1-2-13(10(17)5-8)22-7-12(20-21-22)14(23)19-11-3-4-18-6-9(11)15(24)25/h1-2,5,7,9,11,18H,3-4,6H2,(H,19,23)(H,24,25)
InChIKeyFOSSKZJLBWDCSZ-UHFFFAOYSA-N
XLogP0.34
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4R)-1-(cyclopropylmethyl)-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid
CID 134209518
(3S,4S)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylic acid
CID 134211654
methyl (3R,4R)-1-cyclopentyl-4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylate
CID 174979508
1-phenyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119425815
N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
methyl 4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate
CID 174948884
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
2,4-difluoro-N-[(3R,4R)-4-methylpiperidin-3-yl]benzamide
CID 95401781
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119708022
N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119883922
ethyl (3S,4S)-4-[[5-(2,4-difluorophenyl)-1,2-oxazole-3-carbonyl]amino]piperidine-3-carboxylate;hydrochloride
CID 134209867

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid?
The IUPAC name of 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid (CID 134209263) is 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid.
What is the SMILES notation for 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid?
The canonical SMILES for 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid is O=C(NC1CCNCC1C(=O)O)c1cn(-c2ccc(F)cc2F)nn1.
What is the InChIKey of 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid?
The InChIKey is FOSSKZJLBWDCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O3/c16-8-1-2-13(10(17)5-8)22-7-12(20-21-22)14(23)19-11-3-4-18-6-9(11)15(24)25/h1-2,5,7,9,11,18H,3-4,6H2,(H,19,23)(H,24,25).
What are the key properties of 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid?
4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid has a molecular weight of 351.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,4-difluorophenyl)triazole-4-carbonyl]amino]piperidine-3-carboxylic acid is sourced from PubChem (CID 134209263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).