benzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone

C24H23N5O — CID 71455026

IUPACbenzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1)n1nnc2ccccc21
InChIInChI=1S/C24H23N5O/c30-24(29-23-9-5-4-8-22(23)25-26-29)28-16-14-27(15-17-28)18-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-13H,14-18H2
InChIKeyNQRBCJVLTLKGSN-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.88
Rot. Bonds3

About benzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone

benzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 71455026) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is benzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID71455026
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Namebenzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1)n1nnc2ccccc21
InChIInChI=1S/C24H23N5O/c30-24(29-23-9-5-4-8-22(23)25-26-29)28-16-14-27(15-17-28)18-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-13H,14-18H2
InChIKeyNQRBCJVLTLKGSN-UHFFFAOYSA-N
XLogP3.88
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-Benzhydryl-piperazin-1-yl)-benzotriazol-1-yl-methanone
CID 71453311
(4-[1,1'-biphenyl]-4-yl-1H-1,2,3-triazol-1-yl)[(2R)-2-(phenylmethyl)-1-piperidinyl]-methanone
CID 97289145
[(6S)-6-benzyl-3,6-dihydro-2H-pyridin-1-yl]-[4-(4-phenylphenyl)triazol-1-yl]methanone
CID 145980541
1-[(4-Phenylphenyl)methyl]benzotriazole
CID 7504549
Benzotriazol-1-yl-(4-benzylpiperidin-1-yl)methanone
CID 17989764
Benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone
CID 46831765
(1H-benzo(d)(1,2,3)triazol-1-yl)(4-benzylpiperazin-1-yl)methanone
CID 66683014
Benzotriazol-1-yl-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 66683053
N-(4-phenylbutyl)-1H-benzo[d][1,2,3]triazole-1-carboxamide
CID 86663116
4-Benzotriazol-1-yl-piperidine-1-carboxylic acid adamantan-1-ylamide
CID 650812
1-(1-piperidinylcarbonyl)-1H-benzotriazole
CID 735661

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of benzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone (CID 71455026) is benzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for benzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for benzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone is O=C(N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is NQRBCJVLTLKGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24(29-23-9-5-4-8-22(23)25-26-29)28-16-14-27(15-17-28)18-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-13H,14-18H2.
What are the key properties of benzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone?
benzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 71455026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).