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

C14H15FN4O — CID 124758692

IUPAC[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C14H15FN4O/c15-11-6-4-10(5-7-11)12-3-1-2-8-19(12)14(20)13-16-9-17-18-13/h4-7,9,12H,1-3,8H2,(H,16,17,18)/t12-/m0/s1
InChIKeyZKTLEYSWHQNCAN-LBPRGKRZSA-N
MW274.30 g/mol
LogP2.31
Rot. Bonds2

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

[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 124758692) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is [(2S)-2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID124758692
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C14H15FN4O/c15-11-6-4-10(5-7-11)12-3-1-2-8-19(12)14(20)13-16-9-17-18-13/h4-7,9,12H,1-3,8H2,(H,16,17,18)/t12-/m0/s1
InChIKeyZKTLEYSWHQNCAN-LBPRGKRZSA-N
XLogP2.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-Ethylphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 590730
N-(2-phenylethyl)-1H-1,2,4-triazole-3-carboxamide
CID 1378149
N-Benzyl-1H-1,2,4-triazole-3-carboxamide
CID 1072357
1-(2-tert-Butylphenyl)-4-(1H-1,2,4-triazol-3-ylcarbonyl)piperazine
CID 66792707
2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide
CID 14978582
(4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 589634
N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56780579
N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56781103
(3,4-difluorophenyl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 84594383
N-[(3S,4S)-1-(2,4-difluorobenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)hexahydro-3-pyridinyl]-2-(dimethylamino)acetamide
CID 91921022
N-[(4-phenylphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 118705753
1-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 145964131

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of [(2S)-2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (CID 124758692) is [(2S)-2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)N1CCCC[C@H]1c1ccc(F)cc1.
What is the InChIKey of [(2S)-2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is ZKTLEYSWHQNCAN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-11-6-4-10(5-7-11)12-3-1-2-8-19(12)14(20)13-16-9-17-18-13/h4-7,9,12H,1-3,8H2,(H,16,17,18)/t12-/m0/s1.
What are the key properties of [(2S)-2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 274.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-fluorophenyl)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 124758692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).