(4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone

C24H23N5O — CID 71453311

IUPAC(4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone
SMILESO=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1nnc2ccccc21
InChIInChI=1S/C24H23N5O/c30-24(29-22-14-8-7-13-21(22)25-26-29)28-17-15-27(16-18-28)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2
InChIKeyXOZPAZLUHXWSDR-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.81
Rot. Bonds3

About (4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone (PubChem CID 71453311) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone
PubChem CID71453311
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone
SMILESO=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1nnc2ccccc21
InChIInChI=1S/C24H23N5O/c30-24(29-22-14-8-7-13-21(22)25-26-29)28-17-15-27(16-18-28)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2
InChIKeyXOZPAZLUHXWSDR-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
benzotriazol-1-yl(piperidin-1-yl)methanone;hydrochloride
CID 142638813
(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 27087822
4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108504777
1-(4-benzhydrylpiperazin-1-yl)-2-bromoethanone
CID 86008397
1-(4-benzhydrylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 52894453
1-(4-benzhydrylpiperazin-1-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-one
CID 4286754
2-(benzotriazol-1-yl)prop-2-enoic acid
CID 174497195
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
2-amino-1-(4-benzhydrylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826687
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119057587
(4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 20875663

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone (CID 71453311) is (4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone is O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1nnc2ccccc21.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone?
The InChIKey is XOZPAZLUHXWSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24(29-22-14-8-7-13-21(22)25-26-29)28-17-15-27(16-18-28)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone has a molecular weight of 397.48 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(benzotriazol-1-yl)methanone is sourced from PubChem (CID 71453311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).