(3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C14H14ClFN4O — CID 129398214

IUPAC(3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1F)N1CCCC[C@@H]1c1ncn[nH]1
InChIInChI=1S/C14H14ClFN4O/c15-10-5-3-4-9(12(10)16)14(21)20-7-2-1-6-11(20)13-17-8-18-19-13/h3-5,8,11H,1-2,6-7H2,(H,17,18,19)/t11-/m1/s1
InChIKeyYDQQBCUPGHUWIR-LLVKDONJSA-N
MW308.74 g/mol
LogP2.96
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

(3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 129398214) has the molecular formula C14H14ClFN4O and a molecular weight of 308.74 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID129398214
Molecular FormulaC14H14ClFN4O
Molecular Weight308.74 g/mol
Exact Mass308.08
IUPAC Name(3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1F)N1CCCC[C@@H]1c1ncn[nH]1
InChIInChI=1S/C14H14ClFN4O/c15-10-5-3-4-9(12(10)16)14(21)20-7-2-1-6-11(20)13-17-8-18-19-13/h3-5,8,11H,1-2,6-7H2,(H,17,18,19)/t11-/m1/s1
InChIKeyYDQQBCUPGHUWIR-LLVKDONJSA-N
XLogP2.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

quinoxalin-5-yl-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129487916
1H-indazol-7-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 84596747
1H-indol-4-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 75446127
(3-fluoro-4-pyridinyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128993661
1-[4-[2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 84594447
1H-pyrrol-2-yl-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 97332578
[3-(hydroxymethyl)phenyl]-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129351286
3-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]benzonitrile
CID 129397847
(2,2,3,3-tetramethylcyclopropyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128991556
imidazo[1,2-a]pyridin-2-yl-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129487845
[4-fluoro-3-(trifluoromethyl)phenyl]-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129397844
methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80975676

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 129398214) is (3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C(c1cccc(Cl)c1F)N1CCCC[C@@H]1c1ncn[nH]1.
What is the InChIKey of (3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is YDQQBCUPGHUWIR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14ClFN4O/c15-10-5-3-4-9(12(10)16)14(21)20-7-2-1-6-11(20)13-17-8-18-19-13/h3-5,8,11H,1-2,6-7H2,(H,17,18,19)/t11-/m1/s1.
What are the key properties of (3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
(3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 308.74 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129398214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).