[(2R)-2-benzylpiperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone

C27H26N4O — CID 97289145

IUPAC[(2R)-2-benzylpiperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone
SMILESO=C(N1CCCC[C@@H]1Cc1ccccc1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1
InChIInChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2/t25-/m1/s1
InChIKeyJKJMWHULJIOKPJ-RUZDIDTESA-N
MW422.53 g/mol
LogP5.68
Rot. Bonds4

About [(2R)-2-benzylpiperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone

[(2R)-2-benzylpiperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone (PubChem CID 97289145) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is [(2R)-2-benzylpiperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-benzylpiperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone
PubChem CID97289145
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name[(2R)-2-benzylpiperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone
SMILESO=C(N1CCCC[C@@H]1Cc1ccccc1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1
InChIInChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2/t25-/m1/s1
InChIKeyJKJMWHULJIOKPJ-RUZDIDTESA-N
XLogP5.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-(1,1'-Biphenyl)-4-yl-1H-1,2,3-triazol-1-yl)(2-(phenylmethyl)-1-piperidinyl)-methanone
CID 53364540
(4-(3'-(hydroxymethyl)-[1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)(2-phenylpiperidin-1-yl)methanone
CID 53364491
[3-[4-[1-(2-Phenylpiperidine-1-carbonyl)triazol-4-yl]phenyl]phenyl]-piperidin-1-ylmethanone
CID 53364498
(4-Benzhydryl-piperazin-1-yl)-benzotriazol-1-yl-methanone
CID 71453311
[(6S)-6-benzyl-3,6-dihydro-2H-pyridin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone
CID 145980541
(4-([1,1'-Biphenyl]-4-yl)-2H-1,2,3-triazol-2-yl)(pyrrolidin-1-yl)methanone
CID 56593029
(4-Methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 118526861
[4-[(4-Phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118531126
N-[4-[4-(4-Biphenyl)triazol-1-yl]butyl]-N-propyl-N-[4-(2-phenylethynyl)cyclohex-3-en-1-yl]amine
CID 25139329
Benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 71455022
Benzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 71455026
Benzotriazol-1-yl-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 71460495

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzylpiperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone?
The IUPAC name of [(2R)-2-benzylpiperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone (CID 97289145) is [(2R)-2-benzylpiperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone.
What is the SMILES notation for [(2R)-2-benzylpiperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone?
The canonical SMILES for [(2R)-2-benzylpiperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone is O=C(N1CCCC[C@@H]1Cc1ccccc1)n1cc(-c2ccc(-c3ccccc3)cc2)nn1.
What is the InChIKey of [(2R)-2-benzylpiperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone?
The InChIKey is JKJMWHULJIOKPJ-RUZDIDTESA-N. The full InChI is InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2/t25-/m1/s1.
What are the key properties of [(2R)-2-benzylpiperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone?
[(2R)-2-benzylpiperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone has a molecular weight of 422.53 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-benzylpiperidin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone is sourced from PubChem (CID 97289145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).