[4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C22H24N6O — CID 71709345

IUPAC[4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1-n1cnnn1
InChIInChI=1S/C22H24N6O/c1-18-9-10-20(16-21(18)28-17-23-24-25-28)22(29)27-14-12-26(13-15-27)11-5-8-19-6-3-2-4-7-19/h2-10,16-17H,11-15H2,1H3/b8-5+
InChIKeyDZXOGOFKDKRNEK-VMPITWQZSA-N
MW388.48 g/mol
LogP2.44
Rot. Bonds5

About [4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

[4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 71709345) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is [4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID71709345
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name[4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1-n1cnnn1
InChIInChI=1S/C22H24N6O/c1-18-9-10-20(16-21(18)28-17-23-24-25-28)22(29)27-14-12-26(13-15-27)11-5-8-19-6-3-2-4-7-19/h2-10,16-17H,11-15H2,1H3/b8-5+
InChIKeyDZXOGOFKDKRNEK-VMPITWQZSA-N
XLogP2.44
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734
naphthalen-2-yl-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3958448
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458
(3,4-dihydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 113199241
(3-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78785217
(3,4-diethoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 45109399
(4-bromophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 1227467
(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
(3-hydroxy-4-methoxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 168948492
(2,6-dichloro-4-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 78768431
[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 2058853

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of [4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 71709345) is [4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1-n1cnnn1.
What is the InChIKey of [4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is DZXOGOFKDKRNEK-VMPITWQZSA-N. The full InChI is InChI=1S/C22H24N6O/c1-18-9-10-20(16-21(18)28-17-23-24-25-28)22(29)27-14-12-26(13-15-27)11-5-8-19-6-3-2-4-7-19/h2-10,16-17H,11-15H2,1H3/b8-5+.
What are the key properties of [4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
[4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 388.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(tetrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 71709345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).